NMR Compound Spectrum Catalog
Experimental ¹H / ¹³C pages for common laboratory compounds. Filter by letter or carbon count, then open a compound for peak tables and stick spectra. Also try ¹H prediction and ¹³C prediction.
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Showing 1–80 of 2,586 · all compounds · page 1/33
| Name | CAS | Formula | Slug |
|---|---|---|---|
| (-)-1-Cyclohexyl-1-Pentanol | 7338-43-4 | C11H22O | 1-cyclohexyl-1-pentanol |
| (-)-beta-Pinene | 18172-67-3 | C10H16 | beta-pinene |
| (-)-Carvone | 6485-40-1 | C10H14O | carvone-2 |
| (-)-Linalool | 126-91-0 | C10H18O | linalool |
| ((Phenylthioxomethyl)thio)acetic acid | 942-91-6 | C9H8O2S2 | phenylthioxomethylthioacetic-acid |
| (+-)-Aspartic acid | 617-45-8 | C4H7NO4 | aspartic-acid |
| (+-)-Citramalic acid | 597-44-4 | C5H8O5 | citramalic-acid |
| (+-)-Cotinine | 15569-85-4 | C10H12N2O | cotinine |
| (+-)-Pantolactone | 79-50-5 | C6H10O3 | pantolactone |
| (+-)-Pantothenic acid | 599-54-2 | C9H17NO5 | pantothenic-acid |
| (+)-Borneol | 464-43-7 | C10H18O | borneol |
| (+)-O-Acetyl-L-mandelic Acid | 7322-88-5 | C10H10O4 | o-acetyl-l-mandelic-acid |
| (1-Aminocyclopentyl)methanol | 10316-79-7 | C6H13NO | 1-aminocyclopentylmethanol |
| (1-Bromoethyl)benzene | 585-71-7 | C8H9Br | 1-bromoethylbenzene |
| (1-Cyclopenten-1-yloxy)trimethylsilane | 19980-43-9 | C8H16OSi | 1-cyclopenten-1-yloxytrimethylsilane |
| (1-Methylcyclopropyl)methanol | 2746-14-7 | C5H10O | 1-methylcyclopropylmethanol |
| (2-Aminoethyl)phosphonic acid | 2041-14-7 | C2H8NO3P | 2-aminoethylphosphonic-acid |
| (2-Bromopropyl)benzene | 2114-39-8 | C9H11Br | 2-bromopropylbenzene |
| (2-Chloroethoxy)benzene | 622-86-6 | C8H9ClO | 2-chloroethoxybenzene |
| (2-Chloroethyl)benzene | 622-24-2 | C8H9Cl | 2-chloroethylbenzene |
| (2-Chloroethyl)dimethylamine | 107-99-3 | C4H10ClN | 2-chloroethyldimethylamine |
| (2-Hydroxyethyl)urea | 2078-71-9 | C3H8N2O2 | 2-hydroxyethylurea |
| (2-methoxyethyl)(methyl)amine | 38256-93-8 | C4H11NO | 2-methoxyethylmethylamine |
| (2R)-2-hydroxypropanamide | 598-81-2 | C3H7NO2 | 2r-2-hydroxypropanamide |
| (3-Aminopropyl)methylamine | 6291-84-5 | C4H12N2 | 3-aminopropylmethylamine |
| (3-bromophenyl)boronic Acid | 89598-96-9 | C6H6BBrO2 | 3-bromophenylboronic-acid |
| (3-Bromopropoxy)benzene | 588-63-6 | C9H11BrO | 3-bromopropoxybenzene |
| (3-hydroxyphenyl)boronic Acid | 87199-18-6 | C6H7BO3 | 3-hydroxyphenylboronic-acid |
| (3-Mercaptopropyl)triethoxysilane | 14814-09-6 | C9H22O3SSi | 3-mercaptopropyltriethoxysilane |
| (3-Mercaptopropyl)trimethoxysilane | 4420-74-0 | C6H16O3SSi | 3-mercaptopropyltrimethoxysilane |
| (3R)-3-aminoazepan-2-one | 28957-33-7 | C6H12N2O | 3r-3-aminoazepan-2-one |
| (4-Bromophenyl)urea | 1967-25-5 | C7H7BrN2O | 4-bromophenylurea |
| (Bromomethyl)chlorodimethylsilane | 16532-02-8 | C3H8BrClSi | bromomethylchlorodimethylsilane |
| (Butylamino)acetonitrile | 3010-04-6 | C6H12N2 | butylaminoacetonitrile |
| (Chloroethynyl)benzene | 1483-82-5 | C8H5Cl | chloroethynylbenzene |
| (Chloromethyl)cyclopropane | 5911-08-0 | C4H7Cl | chloromethylcyclopropane |
| (Chloromethyl)dimethylphenylsilane | 1833-51-8 | C9H13ClSi | chloromethyldimethylphenylsilane |
| (diethoxymethyl)dimethylamine | 1188-33-6 | C7H17NO2 | diethoxymethyldimethylamine |
| (Ethylsulfonyl)benzene | 599-70-2 | C8H10O2S | ethylsulfonylbenzene |
| (Iodomethyl)trimethylsilane | 4206-67-1 | C4H11ISi | iodomethyltrimethylsilane |
| (Methoxymethyl)trimethylsilane | 14704-14-4 | C5H14OSi | methoxymethyltrimethylsilane |
| (Pentafluorophenyl)acetonitrile | 653-30-5 | C8H2F5N | pentafluorophenylacetonitrile |
| (Phenylthiomethyl)trimethylsilane | 17873-08-4 | C10H16SSi | phenylthiomethyltrimethylsilane |
| (prop-2-yn-1-yl)cyclohexane | 17715-00-3 | C9H14 | prop-2-yn-1-ylcyclohexane |
| (R)-Indoline-2-carboxylic Acid | 98167-06-7 | C9H9NO2 | r-indoline-2-carboxylic-acid |
| (RS)-2-Methylbutyryl chloride | 57526-28-0 | C5H9ClO | rs-2-methylbutyryl-chloride |
| (S)-adrenaline | 150-05-0 | C9H13NO3 | s-adrenaline |
| (Trifluoromethoxy)benzene | 456-55-3 | C7H5F3O | trifluoromethoxybenzene |
| (Trimethylsilyl)acetic acid | 2345-38-2 | C5H12O2Si | trimethylsilylacetic-acid |
| (Trimethylsilyl)methanol | 3219-63-4 | C4H12OSi | trimethylsilylmethanol |
| [(2-Chloroethyl)sulfonyl]benzene | 938-09-0 | C8H9ClO2S | 2-chloroethylsulfonylbenzene |
| [1,2,4]triazolo[4,3-a]pyridin-3(2H)-one | 6969-71-7 | C6H5N3O | 1-2-4-triazolo-4-3-a-pyridin-3-2h-one |
| [3-(trifluoromethyl)phenyl]acetic acid | 351-35-9 | C9H7F3O2 | 3-trifluoromethylphenylacetic-acid |
| 1-(2-Chlorophenyl)ethanol | 13524-04-4 | C8H9ClO | 1-2-chlorophenylethanol |
| 1-(2-Chlorophenyl)piperazine | 39512-50-0 | C10H13ClN2 | 1-2-chlorophenylpiperazine |
| 1-(2-ethoxyphenyl)ethanone | 2142-67-8 | C10H12O2 | 1-2-ethoxyphenylethanone |
| 1-(2-Hydroxyethyl)pyrrolidin-2-one | 3445-11-2 | C6H11NO2 | 1-2-hydroxyethylpyrrolidin-2-one |
| 1-(3-(trifluoromethoxy)phenyl)ethanone | 170141-63-6 | C9H7F3O2 | 1-3-trifluoromethoxyphenylethanone |
| 1-(3-Aminopropyl)imidazole | 5036-48-6 | C6H11N3 | 1-3-aminopropylimidazole |
| 1-(3-Bromo-4-fluorophenyl)ethanone | 1007-15-4 | C8H6BrFO | 1-3-bromo-4-fluorophenylethanone |
| 1-(3-Chloropropoxy)-4-fluorobenzene | 1716-42-3 | C9H10ClFO | 1-3-chloropropoxy-4-fluorobenzene |
| 1-(4-Bromophenyl)ethanol | 5391-88-8 | C8H9BrO | 1-4-bromophenylethanol |
| 1-(4-Fluorophenyl)ethylamine | 403-40-7 | C8H10FN | 1-4-fluorophenylethylamine |
| 1-(4-Fluorophenyl)piperazine | 2252-63-3 | C10H13FN2 | 1-4-fluorophenylpiperazine |
| 1-(4-Iodophenyl)ethan-1-one | 13329-40-3 | C8H7IO | 1-4-iodophenylethan-1-one |
| 1-(4-Methylphenyl)-1H-pyrrole | 827-60-1 | C11H11N | 1-4-methylphenyl-1h-pyrrole |
| 1-(4-Methylphenyl)ethanol | 536-50-5 | C9H12O | 1-4-methylphenylethanol |
| 1-(Acetyl)thiosemicarbazide | 2302-88-7 | C3H7N3OS | 1-acetylthiosemicarbazide |
| 1-(allyloxy)-2-bromobenzene | 60333-75-7 | C9H9BrO | 1-allyloxy-2-bromobenzene |
| 1-(Chloromethoxy)-2-methoxyethane | 3970-21-6 | C4H9ClO2 | 1-chloromethoxy-2-methoxyethane |
| 1-(Dichloromethyl)-4-fluorobenzene | 456-19-9 | C7H5Cl2F | 1-dichloromethyl-4-fluorobenzene |
| 1-(methylsulfonyl)indoline | 5825-63-8 | C9H11NO2S | 1-methylsulfonylindoline |
| 1-(tert-Butoxy)-4-methylbenzene | 15359-98-5 | C11H16O | 1-tert-butoxy-4-methylbenzene |
| 1-(thiophen-3-yl)ethanone | 1468-83-3 | C6H6OS | 1-thiophen-3-ylethanone |
| 1-[4-(Trifluoromethyl)phenyl]ethan-1-one | 709-63-7 | C9H7F3O | 1-4-trifluoromethylphenylethan-1-one |
| 1-Acetyl-2-phenylhydrazine | 114-83-0 | C8H10N2O | 1-acetyl-2-phenylhydrazine |
| 1-Acetylpiperazine | 13889-98-0 | C6H12N2O | 1-acetylpiperazine |
| 1-Adamantanecarboxylic acid | 828-51-3 | C11H16O2 | 1-adamantanecarboxylic-acid |
| 1-Allyloxy-4-Methoxybenzene | 13391-35-0 | C10H12O2 | 1-allyloxy-4-methoxybenzene |
| 1-Amino-2-naphthol-4-sulfonic acid | 116-63-2 | C10H9NO4S | 1-amino-2-naphthol-4-sulfonic-acid |
References & data sources
- NMRShiftDB2 — open experimental NMR chemical shift database.
- Steinbeck, C.; Kuhn, S. NMRShiftDB — nmrshiftdb.nmr.uni-koeln.de
- Gottlieb, H. E.; Kotlyar, V.; Nudelman, A. NMR Chemical Shifts of Common Laboratory Solvents as Trace Impurities. J. Org. Chem. 1997, 62, 7512–7515.
- Fulmer, G. R. et al. NMR Chemical Shifts of Trace Impurities. Organometallics 2010, 29, 2176–2179.
- PubChem — compound identifiers and structure depictions (NIH/NCBI).
- Related tools: nmrdb.org (community NMR prediction reference).