NMR Spectroscopy

  • Explanation

    For tables of data see Acetylene: Alkene; Allyl; Allene; Benzene; Benzyl; Cyclopropane; Cyclohexane; Diene; Naphthalene; Neopentyl. Methyl chemical shifts are listed in several Methyl tables. Heterocycles are listed under Cycloalkanes, Heterocyles: Bicyclo[x.y.z]; as well as under specific names (e.g., Pyridine; Furan; etc).

    Chemical shifts marked with an asterisk (2.42*, 2.47*) have not been unambiguously assigned.

    A references such as JOC-89-4436 is a coded form of J. Org. Chem. 1989, 54, 4436. An asterisk next to a reference (*JOC-78-233) indicates that the paper has 1H data for numerous other related compounds.

    Numbers in prentheses next to a chemical shift are coupling constants (usually JH-H but sometimes JH-C or JH-X if the molecule contains a spin 1/2 nucleus X (e.g. P, F, Sn, Se)

    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.
    ACSActa Chimica Scandinavica
    AMRAdvances in Magentic Resonance
    AnnJustus Liebig's Annalen.
    ASVAldrich Spectral Viewer
    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.
    ICInorg. Chem.
    JAJ. Am. Chem, Soc.
    JCSP2J. Chem. Soc. Perk. II
    JMRJ. Magn. Res.
    JMSJ. Mol. Spectr.
    JOCJ. Org. Chem.
    JOMCJ. Organomet. Chem.
    JPCJ. Phys. Chem.
    MGMCMain Group Metal Chem
    MRCMagnetic Resonance in Chemistry
    NMRShiftDBhttps://nmrshiftdb.nmr.uni-koeln.de/
    OLOrganic Letters
    OMROrg. Magn. Res.
    ORGMETOrganometallics
    PretschTables of Spectral Data for Structure Determination of Organic Compounds
    ReichResults from the author's research
    RTCRec. Trav. Chim.
    SCSynthetic Communications
    SDBSWeb Spectral Database for Organic Compounds
    SSadler Spectra Collection
    SLSynlett
    TETTetrahedron
    TLTetrahedron Lett
    VVarian Spectra Catalog
    ZOKZh. Org. Khim (Journal of Organic Chemistry of the USSR)
  • -Shift Table 1: δ -10 to 2

    -Shift Table 1: δ -10 to 2
  • -Shift Table 2: δ 2 to 6

    -Shift Table 2: δ 2 to 6
  • -Shift Table 3: δ 6 to 10

    -Shift Table 3: δ 6 to 10
  • -Shift Table 4: δ 10 to 20

    -Shift Table 4: δ 10 to 20
  • Acetal

    Acetal
  • Acetylene

    Acetylene
  • Acetylene tables (X-C≡C-H)

    Acetylene tables (X-C≡C-H)
  • Acetylene tables (X-C≡C-Me)

    Acetylene tables (X-C≡C-Me)
  • Acetylene tables (X-CH2-C≡C-CH3)

    Acetylene tables (X-CH<sub>2</sub>-C≡C-CH<sub>3</sub>)
  • Acetylene tables (X-CH2-C≡C-H)

    Acetylene tables (X-CH<sub>2</sub>-C≡C-H)
  • Acridine

    Acridine
  • Adamantane

    Adamantane
  • Alcohol

    Alcohol
  • Aldehyde

    Aldehyde
  • Alkane

    Alkane
  • Alkene

    Alkene
  • Alkene, 1,1-Disubstituted

    Alkene, 1,1-Disubstituted
  • Alkene, cis-Disubstituted

    Alkene, <i>cis</i>-Disubstituted
  • Alkene, trans-Disubstituted

    Alkene, <i>trans</i>-Disubstituted
  • Alkene, Monosubstituted (C-Li)

    Alkene, Monosubstituted (C-Li)
  • Alkene, Monosubstituted (F-N)

    Alkene, Monosubstituted (F-N)
  • Alkene, Substituent Effects

    Alkene, Substituent Effects
  • Alkene, Vinyl Halide

    Alkene, Vinyl Halide
  • Allene

    Allene
  • Allene Oxide

    Allene Oxide
  • Allyl

    Allyl
  • Aluminum

    Aluminum
  • Amides

    Amides
  • Amidine

    Amidine
  • Amidine

    Amidine
  • Amine

    Amine
  • Amine, N-Hydroxy

    Amine, N-Hydroxy
  • Amino Acid

    Amino Acid
  • Ammonium

    Ammonium
  • Anhydride

    Anhydride
  • Anthracene

    Anthracene
  • Antimony

    Antimony
  • Aromatic, Benzenoid

    Aromatic, Benzenoid
  • Aromatic, Larger rings

    Aromatic, Larger rings
  • Arsenic

    Arsenic
  • Azide

    Azide
  • Azo

    Azo
  • Azulene

    Azulene
  • Benzene

    Benzene
  • Benzene - Substituent Effects

    Benzene - Substituent Effects
  • Benzocycloalkanes

    Benzocycloalkanes
  • Benzofuran

    Benzofuran
  • Benzothiophene

    Benzothiophene
  • Benzyl

    Benzyl
  • Beryllium

    Beryllium
  • Bicyclo[1.1.0]

    Bicyclo[1.1.0]
  • Bicyclo[1.1.1]

    Bicyclo[1.1.1]
  • Bicyclo[2.1.0]

    Bicyclo[2.1.0]
  • Bicyclo[2.1.1]

    Bicyclo[2.1.1]
  • Bicyclo[2.2.1]

    Bicyclo[2.2.1]
  • Bicyclo[2.2.2]

    Bicyclo[2.2.2]
  • Bicyclo[3.1.0]

    Bicyclo[3.1.0]
  • Bicyclo[3.1.1]

    Bicyclo[3.1.1]
  • Bicyclo[3.3.1]

    Bicyclo[3.3.1]
  • Bicyclo[4.1.0]

    Bicyclo[4.1.0]
  • Bicyclo[5.1.0]

    Bicyclo[5.1.0]
  • Bicyclo[6.1.0]

    Bicyclo[6.1.0]
  • Bifluoride

    Bifluoride
  • Bismuth

    Bismuth
  • Borane

    Borane
  • Bunte Salts

    Bunte Salts
  • Cadmium

    Cadmium
  • Carbamate

    Carbamate
  • Carbene

    Carbene
  • Carbonate

    Carbonate
  • Carbonium

    Carbonium
  • Carboxylic Acid

    Carboxylic Acid
  • Carboxylic Acid Halides

    Carboxylic Acid Halides
  • Carboxylic Ester

    Carboxylic Ester
  • Carboxylic Ester, di

    Carboxylic Ester, di
  • Carboxylic Imides

    Carboxylic Imides
  • Carboxylic Thioester

    Carboxylic Thioester
  • Copper

    Copper
  • Coumarin

    Coumarin
  • Crown ethers

    Crown ethers
  • Cyanate

    Cyanate
  • Cyanide

    Cyanide
  • Cyclobutane

    Cyclobutane
  • Cyclobutane, Heterocycles

    Cyclobutane, Heterocycles
  • Cycloheptane

    Cycloheptane
  • Cycloheptane, Heterocycles

    Cycloheptane, Heterocycles
  • Cyclohexane

    Cyclohexane
  • Cyclohexane

    Cyclohexane
  • Cyclohexane, Heterocycles

    Cyclohexane, Heterocycles
  • Cyclohexanone

    Cyclohexanone
  • Cyclohexene

    Cyclohexene
  • Cyclooctane

    Cyclooctane
  • Cyclopentadiene

    Cyclopentadiene
  • Cyclopentane

    Cyclopentane
  • Cyclopentane, Heterocycles

    Cyclopentane, Heterocycles
  • Cyclopropane

    Cyclopropane
  • Cyclopropane, Heterocycles

    Cyclopropane, Heterocycles
  • Cyclopropane, methylene

    Cyclopropane, methylene
  • Cyclopropane, monosubstituted

    Cyclopropane, monosubstituted
  • Cyclopropanone

    Cyclopropanone
  • Cyclopropene

    Cyclopropene
  • Decalin

    Decalin
  • Diazo

    Diazo
  • Diene

    Diene
  • Diene, 2-Substituted

    Diene, 2-Substituted
  • Diselenide

    Diselenide
  • Enal

    Enal
  • Enamine

    Enamine
  • Enoate Ester

    Enoate Ester
  • Enoic Acid

    Enoic Acid
  • Enoic Amide

    Enoic Amide
  • Enol

    Enol
  • Enol Phosphate

    Enol Phosphate
  • Enolates

    Enolates
  • Enone

    Enone
  • Enone (cont)

    Enone (cont)
  • Episulfide

    Episulfide
  • Epoxide

    Epoxide
  • Ether

    Ether
  • Fulvene

    Fulvene
  • Furan

    Furan
  • Germane

    Germane
  • Gold

    Gold
  • Grignard Reagents

    Grignard Reagents
  • Halide

    Halide
  • Halides, Poly

    Halides, Poly
  • Haloketone

    Haloketone
  • Halonium ions

    Halonium ions
  • Hydrazine

    Hydrazine
  • Hydrazone

    Hydrazone
  • Hydrogen

    Hydrogen
  • Hydroxylamine

    Hydroxylamine
  • Hypofluorite

    Hypofluorite
  • Imidazole

    Imidazole
  • Imine

    Imine
  • Imonium

    Imonium
  • Indane

    Indane
  • Indium

    Indium
  • Indole

    Indole
  • Iron

    Iron
  • Isocyanate

    Isocyanate
  • Isocyanide

    Isocyanide
  • Isoxazole

    Isoxazole
  • Ketal

    Ketal
  • Ketene

    Ketene
  • Ketoester, Beta

    Ketoester, Beta
  • Ketone

    Ketone
  • Ketone, Di

    Ketone, Di
  • Ketone, Halo

    Ketone, Halo
  • Lactam

    Lactam
  • Lactones

    Lactones
  • Lead

    Lead
  • Lead

    Lead
  • Lithium

    Lithium
  • Meisenheimer Salts

    Meisenheimer Salts
  • Mercaptan

    Mercaptan
  • Mercury

    Mercury
  • Mesylate

    Mesylate
  • Methyl Shifts (C, Si, Ge, Sn, Met)

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

    Methyl Shifts (Halg, O, N )
  • Naphthalene

    Naphthalene
  • Naphthalene, polysubstituted

    Naphthalene, polysubstituted
  • Neopentyl

    Neopentyl
  • Nitrate Ester

    Nitrate Ester
  • Nitriles

    Nitriles
  • Nitro

    Nitro
  • Nitrone

    Nitrone
  • Nitronic ester

    Nitronic ester
  • Nitroso

    Nitroso
  • Nucleoside

    Nucleoside
  • Ortho Ester

    Ortho Ester
  • Oxime

    Oxime
  • Oxonium Ions

    Oxonium Ions
  • Penicillin

    Penicillin
  • Perbromate Ester

    Perbromate Ester
  • Peroxide

    Peroxide
  • Phenanthrene

    Phenanthrene
  • Phenazine

    Phenazine
  • Phenol

    Phenol
  • Phosphaalkyne

    Phosphaalkyne
  • Phosphate

    Phosphate
  • Phosphine

    Phosphine
  • Phosphine Oxide

    Phosphine Oxide
  • Phosphite

    Phosphite
  • Phosphole

    Phosphole
  • Phosphonate

    Phosphonate
  • Phosphonium

    Phosphonium
  • Phosphorane

    Phosphorane
  • Phthalimide

    Phthalimide
  • Platinum

    Platinum
  • Protecting Groups

    Protecting Groups
  • Purine

    Purine
  • Pyrazine

    Pyrazine
  • Pyrazole

    Pyrazole
  • Pyrene

    Pyrene
  • Pyridazine

    Pyridazine
  • Pyridine

    Pyridine
  • Pyridone

    Pyridone
  • Pyrimidine

    Pyrimidine
  • Pyrone

    Pyrone
  • Pyrrole

    Pyrrole
  • Pyrylium

    Pyrylium
  • Quinoline

    Quinoline
  • Quinone

    Quinone
  • Quinoxaline

    Quinoxaline
  • Selenadiazole

    Selenadiazole
  • Selenide

    Selenide
  • Selenium

    Selenium
  • Selenol

    Selenol
  • Selenonium

    Selenonium
  • Selenophene

    Selenophene
  • Selenoxide

    Selenoxide
  • Silane

    Silane
  • Silyl ether

    Silyl ether
  • Spiro

    Spiro
  • Stannane

    Stannane
  • Sugars (furanose)

    Sugars (furanose)
  • Sugars (pyranose)

    Sugars (pyranose)
  • Sulfates

    Sulfates
  • Sulfenate

    Sulfenate
  • Sulfide

    Sulfide
  • Sulfilimine

    Sulfilimine
  • Sulfinate

    Sulfinate
  • Sulfine

    Sulfine
  • Sulfite

    Sulfite
  • Sulfonamide

    Sulfonamide
  • Sulfonate, thio

    Sulfonate, thio
  • Sulfone

    Sulfone
  • Sulfonium

    Sulfonium
  • Sulfonyl Halide

    Sulfonyl Halide
  • Sulfoxide

    Sulfoxide
  • Sulfur

    Sulfur
  • Sultone

    Sultone
  • Tellurium

    Tellurium
  • Tellurophene

    Tellurophene
  • Tetrahedrane

    Tetrahedrane
  • Tetrahydrofuran

    Tetrahydrofuran
  • Tetrazole

    Tetrazole
  • Thallium

    Thallium
  • Thiazole

    Thiazole
  • Thioacetal

    Thioacetal
  • Thioaldehyde

    Thioaldehyde
  • Thioaldehyde S-oxide

    Thioaldehyde S-oxide
  • Thioamide

    Thioamide
  • Thiocarboxylic Acid

    Thiocarboxylic Acid
  • Thiocyanate

    Thiocyanate
  • Thiophene

    Thiophene
  • Thiopyrone

    Thiopyrone
  • Triazine

    Triazine
  • Triazole

    Triazole
  • Tropone

    Tropone
  • Tungsten

    Tungsten
  • Urea

    Urea
  • Water

    Water
  • Xylylene, ortho-

    Xylylene, ortho-
  • Zinc

    Zinc