NMR Spectroscopy

  • Explanation

    For tables of data and substituent chemical shifts (Δδ) see Acetylene, Alkenes, Allene, Allyl, Benzene, Benzyl, Butyl, Cyciohexanes, Methyl, Naphthalene, Neopentane, Pentanes, Proparayl. Heterocycles are listed under Cycloalkanes, Heterocyles; Bicyclo[x.y.z]; as well as under specific names (e.g., Dithiane; Piperidine; Furan). A number in parentheses after a chemical shift is a coupling (e.g., J(C-Sn)).

    Chemical shifts marked with an asterisk (22.4*, 23.1*) have not been unambiguously assigned.

    An asterisk next to a reference (*ZOK-2) indicates that the paper has °C data for numerous other related compounds.

    Acknowledgments

    This website is made possible by a generous allocation of server space and bandwidth from, previously, the Department of Chemistry at the University of Wisconsin, and, now, the ACS Division of Organic Chemistry. The National Science Foundation is acknowledged for financial support to Professor Hans Reich who created the database of NMR. Dr. Khoi Van (Assistant Webmaster of the ACS Division of Organic Chemistry) is acknowledged for his extensive volunteer efforts in converting Professor Reich's database out of frames into its current website (responsive form) in June 2020.

  • Reference Abbreviations

    A references such as JOC-89-4436 is a coded form of J. Org. Chem. 1989, 54, 4436 (89 is the year). This could also be coded as JOC-(54)-4436 (volume in parentheses).

    ACIEAngew. Chem. Int. Ed. Engl.
    AnnJustus Liebig's Annalen.
    ASVAldrich Spectral Viewer
    BreitBreitmaier, E.; Boelter, W. "13C NMR Spectroscopy", Verlag Chemie 1978.
    BCSJBull. Chem. Soc. Jap.
    BERChem. Ber.
    CCJ. Chem. Soc., Chem. Commun,
    CEJChemistry - A European Journal
    CJCCan. J. Chem.
    EJCEuropean Journal of Chemistry
    EJICEuropean Journal of Inorganic Chemistry
    FriebolinFrebolin, H. "Basic One- and Two-Dimensional NMR Spectroscopy,"" 2nd Ed. VCH Publishers, New York, 1993. Heterocycles
    HETHeterocycles
    HesseHesse, M.; Meier, H.; Zech, B. "Spektroscopische Methoden in der Organischen Chemie", Thieme, 1987.
    JAJ. Am. Chem, Soc.
    JCSP2J. Chem. Soc. Perk. II
    JMRJ. Magn. Res.
    JOCJ. Org. Chem.
    JOMCJ. Organomet. Chem.
    JPCJ. Phys. Chem.
    KBBKalinowsky, H.-O.; Berger, S.; Braun, S. "13C NMR Spektroskopie," Georg Thieme Verlag, 1984
    LevyLevy, G. C.; Lichter, R. L.; Nelson, G. L. "Carbon-13 Nuclear Magnetic Resonance Spectroscopy." Wiley, 1980.
    MGMCMain Group Metal Chem
    MRCMagnetic Resonance in Chemistry
    NMRShiftDBhttps://nmrshiftdb.nmr.uni-koeln.de/
    OLOrganic Letters
    OMROrg. Magn. Res.
    ORGMETOrganometallics
    ReichResults from the author's research
    RTCRec. Trav. Chim.
    SilversteinSilverstein, R.M.; Bassler, G.C.; Morrill, T.C. "Spectrometric Identification of Organic Compounds" 4th Ed. Wiley, 1981
    SCSynthetic Communications
    SDBSWeb Spectral Database for Organic Compounds
    SLSynlett
    StothersStothers, J. B. "Carbon-13 NMR Spectroscopy." Academic Press, 1972.
    TETTetrahedron
    TLTetrahedron Lett
    WehriiWehri, F.W.; Wirthiin, T. "Interpretation of Carbon-13 NMR Spectra", Heyden. 1976.
    ZOKZh. Org. Khim (Journal of Organic Chemistry of the USSR)
  • Overview

    Overview
  • Acenaphthylene

    Acenaphthylene
  • Acetal

    Acetal
  • Acetylene - Substituent Effects

    Acetylene - Substituent Effects
  • Acetylene - Cl, Br, O ,S, Se, Te Subst

    Acetylene - Cl, Br, O ,S, Se, Te Subst
  • Acetylene - Si, Ge, Sn, P, I Subst.

    Acetylene - Si, Ge, Sn, P, I Subst.
  • Acetylenes

    Acetylenes
  • Acetylenes - Enyne

    Acetylenes - Enyne
  • Acylium cation

    Acylium cation
  • Acyloin

    Acyloin
  • Adamantane

    Adamantane
  • Alcohol

    Alcohol
  • Aldehyde

    Aldehyde
  • Alkane - Substituent Effects

    Alkane - Substituent Effects
  • Alkane - Substituent Effects

    Alkane - Substituent Effects
  • Alkanes

    Alkanes
  • Alkanes - Grant-Paul Parameters

    Alkanes - Grant-Paul Parameters
  • Alkene

    Alkene
  • Alkene - Substituent Effects

    Alkene - Substituent Effects
  • Alkene - Vinyl Halides

    Alkene - Vinyl Halides
  • Alkene, Enamines

    Alkene, Enamines
  • Alkenes - Propenyl-X

    Alkenes - Propenyl-X
  • Allene

    Allene
  • Allene - Cumulene

    Allene - Cumulene
  • Allene - Monosubstituted

    Allene - Monosubstituted
  • Allene Oxide

    Allene Oxide
  • Allene, Heterosubstituted

    Allene, Heterosubstituted
  • Allyl

    Allyl
  • Allyl Alcohol

    Allyl Alcohol
  • Allyl Halide

    Allyl Halide
  • Amide - Lithium

    Amide - Lithium
  • Amidine

    Amidine
  • Amine

    Amine
  • Amino Acid

    Amino Acid
  • Anhydride

    Anhydride
  • Annulene

    Annulene
  • Anthracene

    Anthracene
  • Aromatic

    Aromatic
  • Arsenic

    Arsenic
  • Azepin

    Azepin
  • Azetidine

    Azetidine
  • Azide

    Azide
  • Aziridine

    Aziridine
  • Azo

    Azo
  • Azulene

    Azulene
  • Benzene - Substituent Effects

    Benzene - Substituent Effects
  • Benzene - C-substituents

    Benzene - C-substituents
  • Benzene - F, Cl, Br, I

    Benzene - F, Cl, Br, I
  • Benzene - N, P, As, Sb, Bi

    Benzene - N, P, As, Sb, Bi
  • Benzene - O, S, Se, Te

    Benzene - O, S, Se, Te
  • Benzene - Si, Ge, Sn, Pb, Li, Met

    Benzene - Si, Ge, Sn, Pb, Li, Met
  • Benzene Oxide

    Benzene Oxide
  • Benzimidazole

    Benzimidazole
  • Benzocycloalkenes

    Benzocycloalkenes
  • Benzodiazepine

    Benzodiazepine
  • Benzofuran

    Benzofuran
  • Benzoselenophene

    Benzoselenophene
  • Benzyl

    Benzyl
  • Benzyne

    Benzyne
  • Bicyclo[1.1.0]

    Bicyclo[1.1.0]
  • Bicyclo[2.1.0]

    Bicyclo[2.1.0]
  • Bicyclo[2.2.1]

    Bicyclo[2.2.1]
  • Bicyclo[2.2.2]

    Bicyclo[2.2.2]
  • Bicyclo[2.2.2] Heterocycles

    Bicyclo[2.2.2] Heterocycles
  • Bicyclo[3.1.0]

    Bicyclo[3.1.0]
  • Bicyclo[3.2.2]

    Bicyclo[3.2.2]
  • Bicyclo[3.3.1]

    Bicyclo[3.3.1]
  • Bicyclo[4.1.0]

    Bicyclo[4.1.0]
  • Bicyclo[4.2.2]

    Bicyclo[4.2.2]
  • Bicyclo[4.4.0]

    Bicyclo[4.4.0]
  • Biphenyl

    Biphenyl
  • Bipyridyl

    Bipyridyl
  • Borepin

    Borepin
  • Bromide

    Bromide
  • Butyl Chemical Shifts δ

    Butyl Chemical Shifts δ
  • Canabinoids

    Canabinoids
  • Carbamate

    Carbamate
  • Carbanion

    Carbanion
  • Carbene

    Carbene
  • Carbodiimide

    Carbodiimide
  • Carbon Dioxide

    Carbon Dioxide
  • Carbon Suboxide

    Carbon Suboxide
  • Carbonate

    Carbonate
  • Carbonium Ion

    Carbonium Ion
  • Carbonium Ion - Oxonium

    Carbonium Ion - Oxonium
  • Carbonium, β-Silyl

    Carbonium, β-Silyl
  • Carbonyl Complexes

    Carbonyl Complexes
  • Carbonyl Groups

    Carbonyl Groups
  • Carboxylic Acid

    Carboxylic Acid
  • Carboxylic Acid Halide

    Carboxylic Acid Halide
  • Carboxylic Amide

    Carboxylic Amide
  • Carboxylic Ester

    Carboxylic Ester
  • Carboxylic Ester, Unsaturated

    Carboxylic Ester, Unsaturated
  • Carboxylic Thiol Ester

    Carboxylic Thiol Ester
  • Cephalosporin

    Cephalosporin
  • Chlorocarbonate

    Chlorocarbonate
  • Chlorocarbonate

    Chlorocarbonate
  • Chromium

    Chromium
  • Cinnamyl

    Cinnamyl
  • Cocaine

    Cocaine
  • Copper

    Copper
  • Crown ethers

    Crown ethers
  • Cubane

    Cubane
  • Cumulene

    Cumulene
  • Cyanamide

    Cyanamide
  • Cyanate

    Cyanate
  • Cyanohydrin

    Cyanohydrin
  • Cyclobutadiene

    Cyclobutadiene
  • Cyclobutane

    Cyclobutane
  • Cycloheptane

    Cycloheptane
  • Cycloheptane, Heterocycles

    Cycloheptane, Heterocycles
  • Cyclohexane

    Cyclohexane
  • Cyclohexane - Substituent Effects

    Cyclohexane - Substituent Effects
  • Cyclohexane, Axial-Equat

    Cyclohexane, Axial-Equat
  • Cyclohexane, Heterocycles O, N

    Cyclohexane, Heterocycles  O, N
  • Cyclohexane, Heterocycles P, As

    Cyclohexane, Heterocycles P, As
  • Cyclohexane, Heterocycles S, Se, Te

    Cyclohexane, Heterocycles S, Se, Te
  • Cyclohexane, Heterocycles Si, Ge, Sn

    Cyclohexane, Heterocycles Si, Ge, Sn
  • Cyclohexanone

    Cyclohexanone
  • Cyclohexene

    Cyclohexene
  • Cyclohexenone

    Cyclohexenone
  • Cyclooctane

    Cyclooctane
  • Cyclooctane, Heterocycles

    Cyclooctane, Heterocycles
  • Cyclopentadiene

    Cyclopentadiene
  • Cyclopentane

    Cyclopentane
  • Cyclopentane, Heterocycles

    Cyclopentane, Heterocycles
  • Cyclopentanone

    Cyclopentanone
  • Cyclopropane

    Cyclopropane
  • Cyclopropane, Heterocycles

    Cyclopropane, Heterocycles
  • Cyclopropene

    Cyclopropene
  • Diaziridine

    Diaziridine
  • Diazo

    Diazo
  • Diene

    Diene
  • Dioxane

    Dioxane
  • Dioxetane

    Dioxetane
  • Diselenide

    Diselenide
  • Disulfide

    Disulfide
  • Ditelluride

    Ditelluride
  • Dithiane, 1,3-

    Dithiane, 1,3-
  • Dodecahedrane

    Dodecahedrane
  • EDTA

    EDTA
  • Enoate Ester

    Enoate Ester
  • Enol

    Enol
  • Enol Borate

    Enol Borate
  • Enol Ester

    Enol Ester
  • Enol Ether

    Enol Ether
  • Enol Silyl Ether

    Enol Silyl Ether
  • Enol Stannyl Ether

    Enol Stannyl Ether
  • Enolate

    Enolate
  • Enolate- 1,3-Dicarbonyl

    Enolate- 1,3-Dicarbonyl
  • Enone

    Enone
  • Episulfide

    Episulfide
  • Epoxide

    Epoxide
  • Ester

    Ester
  • Eudesmanolides

    Eudesmanolides
  • Flavonoid

    Flavonoid
  • Fluorene

    Fluorene
  • Formate Ester

    Formate Ester
  • Fullerene

    Fullerene
  • Fulvene

    Fulvene
  • Fumaric Acid

    Fumaric Acid
  • Furan

    Furan
  • Geraniol

    Geraniol
  • Germanium

    Germanium
  • Glycol

    Glycol
  • Grignard Reagent

    Grignard Reagent
  • Guanidine

    Guanidine
  • Haloketone

    Haloketone
  • Halonium Ion

    Halonium Ion
  • Heterocycles

    Heterocycles
  • Hydrazine

    Hydrazine
  • Hydroperoxide

    Hydroperoxide
  • Imide

    Imide
  • Imine

    Imine
  • Imonium Salt

    Imonium Salt
  • Indane

    Indane
  • Indium

    Indium
  • Indole

    Indole
  • Iodide

    Iodide
  • Iron

    Iron
  • Isocyanate

    Isocyanate
  • Isocyanide

    Isocyanide
  • Isoxazole

    Isoxazole
  • Ketene

    Ketene
  • Keto-ester, α

    Keto-ester, α
  • Ketone

    Ketone
  • Ketone, 1,2-Di

    Ketone, 1,2-Di
  • Lactam

    Lactam
  • Lead

    Lead
  • Lithium - α-Halo

    Lithium - α-Halo
  • Lithium - α-Seleno

    Lithium - α-Seleno
  • Lithium - α-Silyl

    Lithium - α-Silyl
  • Lithium - α-Sulfonyl

    Lithium - α-Sulfonyl
  • Lithium - α-Thio

    Lithium - α-Thio
  • Lithium - Alkyl

    Lithium - Alkyl
  • Lithium - Alkynyl

    Lithium - Alkynyl
  • Lithium - Allenyl

    Lithium - Allenyl
  • Lithium - Allenyl (Alkoxy)

    Lithium - Allenyl (Alkoxy)
  • Lithium - Allenyl (Silyl)

    Lithium - Allenyl (Silyl)
  • Lithium - Allyl

    Lithium - Allyl
  • Lithium - Aryl

    Lithium - Aryl
  • Lithium - Benzyl

    Lithium - Benzyl
  • Lithium - Heteroaryl

    Lithium - Heteroaryl
  • Lithium - Propargyl

    Lithium - Propargyl
  • Lithium - Vinyl

    Lithium - Vinyl
  • Lithium Amide

    Lithium Amide
  • Malonic Acid/Anhydride

    Malonic Acid/Anhydride
  • Mercaptan

    Mercaptan
  • Mercury

    Mercury
  • Mesylate

    Mesylate
  • Metacyclophane

    Metacyclophane
  • Methyl Shifts (C, Si, Ge, Sn, Metals)

    Methyl Shifts (C, Si, Ge, Sn, Metals)
  • Methyl Shifts (Halg, O, N)

    Methyl Shifts (Halg, O, N)
  • Morpholine

    Morpholine
  • Naphthalene

    Naphthalene
  • Naphthalene - Substituent Effects

    Naphthalene - Substituent Effects
  • Neopentyl Compounds

    Neopentyl Compounds
  • Nicotine

    Nicotine
  • Nitrile

    Nitrile
  • Nitrile Oxide

    Nitrile Oxide
  • Nitro

    Nitro
  • Nitronate

    Nitronate
  • Nitroso

    Nitroso
  • Olefin

    Olefin
  • Ortho Ester/Carbonate

    Ortho Ester/Carbonate
  • Oxalic Acid

    Oxalic Acid
  • Oxathiane

    Oxathiane
  • Oxaziridine

    Oxaziridine
  • Oxazole

    Oxazole
  • Oxazoline

    Oxazoline
  • Oxime

    Oxime
  • Ozonide

    Ozonide
  • Paracyclophane

    Paracyclophane
  • Penicillin

    Penicillin
  • Peroxide

    Peroxide
  • Phenanthrene

    Phenanthrene
  • Phenoxide

    Phenoxide
  • Phosphaalkyne

    Phosphaalkyne
  • Phosphate

    Phosphate
  • Phosphine

    Phosphine
  • Phosphine Borane

    Phosphine Borane
  • Phosphite

    Phosphite
  • Phosphole

    Phosphole
  • Phosphonate

    Phosphonate
  • Phosphonium Salt

    Phosphonium Salt
  • Phosphorane

    Phosphorane
  • Phthalic Acid

    Phthalic Acid
  • Pinene

    Pinene
  • Piperidine

    Piperidine
  • Platinum

    Platinum
  • Potassium

    Potassium
  • Prismane

    Prismane
  • Propargyl

    Propargyl
  • Propellane[1.1.1]

    Propellane[1.1.1]
  • Propiolic Acid

    Propiolic Acid
  • Protecting Groups

    Protecting Groups
  • Purine

    Purine
  • Pyran

    Pyran
  • Pyrazine

    Pyrazine
  • Pyrazole

    Pyrazole
  • Pyrene

    Pyrene
  • Pyridazine

    Pyridazine
  • Pyridine

    Pyridine
  • Pyridone

    Pyridone
  • Pyrimidine

    Pyrimidine
  • Pyrone

    Pyrone
  • Pyrrole

    Pyrrole
  • Pyrrolidine

    Pyrrolidine
  • Pyrylium

    Pyrylium
  • Quinoline

    Quinoline
  • Quinone

    Quinone
  • Selenium

    Selenium
  • Selenocyanate

    Selenocyanate
  • Selenophene

    Selenophene
  • Selone

    Selone
  • Silane

    Silane
  • Silane, Acyl

    Silane, Acyl
  • Silane, Allyl

    Silane, Allyl
  • Silane, Cyclic

    Silane, Cyclic
  • Silyl Ether

    Silyl Ether
  • Silyllithium

    Silyllithium
  • Spiro

    Spiro
  • Stannane

    Stannane
  • Stannane, vinyl

    Stannane, vinyl
  • Steroid

    Steroid
  • Succinic Acid

    Succinic Acid
  • Sugars

    Sugars
  • Sulfenate Ester

    Sulfenate Ester
  • Sulfide

    Sulfide
  • Sulfilimine

    Sulfilimine
  • Sulfine

    Sulfine
  • Sulfinic Acid

    Sulfinic Acid
  • Sulfite

    Sulfite
  • Sulfone

    Sulfone
  • Sulfonium

    Sulfonium
  • Sulfoxide

    Sulfoxide
  • Sulfur

    Sulfur
  • Sultone

    Sultone
  • Telluride

    Telluride
  • Telluroketone

    Telluroketone
  • Terpene

    Terpene
  • Terphenyl

    Terphenyl
  • Tetrahedrane

    Tetrahedrane
  • Tetrahydrofuran

    Tetrahydrofuran
  • Tetrahydropyran

    Tetrahydropyran
  • Tetralin

    Tetralin
  • Thiane

    Thiane
  • Thiazole

    Thiazole
  • Thioacetal

    Thioacetal
  • Thioamide

    Thioamide
  • Thioketene

    Thioketene
  • Thiolsulfinate

    Thiolsulfinate
  • Thiophene

    Thiophene
  • Thiophene - Substituent effects

    Thiophene - Substituent effects
  • Thiourea

    Thiourea
  • Tin

    Tin
  • Tosylhydrazone

    Tosylhydrazone
  • Triquinacene

    Triquinacene
  • Trithiane

    Trithiane
  • Tropone

    Tropone
  • Twistane

    Twistane
  • Uracil

    Uracil
  • Urea

    Urea
  • Ylid

    Ylid
  • Yohimbine

    Yohimbine
  • Yttrium

    Yttrium
  • Zinc

    Zinc