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 721–800 of 1,113 · names starting with digits/symbols · page 10/14
| Name | CAS | Formula | Slug |
|---|---|---|---|
| 3-Methyl-1-penten-4-yn-3-ol | 3230-69-1 | C6H8O | 3-methyl-1-penten-4-yn-3-ol |
| 3-Methyl-1-pentyn-3-ol | 77-75-8 | C6H10O | 3-methyl-1-pentyn-3-ol |
| 3-Methyl-1-phenyl-1H-pyrazole | 1128-54-7 | C10H10N2 | 3-methyl-1-phenyl-1h-pyrazole |
| 3-Methyl-1h-Indene | 767-60-2 | C10H10 | 3-methyl-1h-indene |
| 3-Methyl-2-butanamine | 598-74-3 | C5H13N | 3-methyl-2-butanamine |
| 3-Methyl-2-Butanone | 563-80-4 | C5H10O | 3-methyl-2-butanone |
| 3-Methyl-2-butenal | 107-86-8 | C5H8O | 3-methyl-2-butenal |
| 3-Methyl-2-oxobutanoic acid | 759-05-7 | C5H8O3 | 3-methyl-2-oxobutanoic-acid |
| 3-Methyl-2-oxovaleric acid | 1460-34-0 | C6H10O3 | 3-methyl-2-oxovaleric-acid |
| 3-Methyl-2-Pentanol | 565-60-6 | C6H14O | 3-methyl-2-pentanol |
| 3-Methyl-2-pentanone | 565-61-7 | C6H12O | 3-methyl-2-pentanone |
| 3-Methyl-2-thiophenecarboxylic acid | 23806-24-8 | C6H6O2S | 3-methyl-2-thiophenecarboxylic-acid |
| 3-Methyl-2(5H)-furanone | 22122-36-7 | C5H6O2 | 3-methyl-25h-furanone |
| 3-Methyl-3-oxetanemethanol | 3143-02-0 | C5H10O2 | 3-methyl-3-oxetanemethanol |
| 3-Methyl-3-Pentanol | 77-74-7 | C6H14O | 3-methyl-3-pentanol |
| 3-Methyl-3-pyrazolin-5-one | 4344-87-0 | C4H6N2O | 3-methyl-3-pyrazolin-5-one |
| 3-Methyl-4-(methylthio)phenol | 3120-74-9 | C8H10OS | 3-methyl-4-methylthiophenol |
| 3-Methylbenzaldehyde | 620-23-5 | C8H8O | 3-methylbenzaldehyde |
| 3-Methylbenzenethiol | 108-40-7 | C7H8S | 3-methylbenzenethiol |
| 3-Methylbenzoic acid | 99-04-7 | C8H8O2 | 3-methylbenzoic-acid |
| 3-Methylbenzoyl chloride | 1711-06-4 | C8H7ClO | 3-methylbenzoyl-chloride |
| 3-Methylbenzyl Alcohol | 587-03-1 | C8H10O | 3-methylbenzyl-alcohol |
| 3-Methylbenzyl bromide | 620-13-3 | C8H9Br | 3-methylbenzyl-bromide |
| 3-Methylbenzyl chloride | 620-19-9 | C8H9Cl | 3-methylbenzyl-chloride |
| 3-Methylglutaric Acid | 626-51-7 | C6H10O4 | 3-methylglutaric-acid |
| 3-Methylhippuric acid | 27115-49-7 | C10H11NO3 | 3-methylhippuric-acid |
| 3-Methylindole | 83-34-1 | C9H9N | 3-methylindole |
| 3-Methylnonane | 5911-04-6 | C10H22 | 3-methylnonane |
| 3-Methylphenylacetic acid | 621-36-3 | C9H10O2 | 3-methylphenylacetic-acid |
| 3-Methylpyrazole | 1453-58-3 | C4H6N2 | 3-methylpyrazole |
| 3-Methylpyridine | 108-99-6 | C6H7N | 3-methylpyridine |
| 3-Methylrhodanine | 4807-55-0 | C4H5NOS2 | 3-methylrhodanine |
| 3-Methylsalicylic acid | 83-40-9 | C8H8O3 | 3-methylsalicylic-acid |
| 3-Methylthio-2-butanone | 53475-15-3 | C5H10OS | 3-methylthio-2-butanone |
| 3-Nonyne | 20184-89-8 | C9H16 | 3-nonyne |
| 3-Octyne | 15232-76-5 | C8H14 | 3-octyne |
| 3-Oxolene | 1708-29-8 | C4H6O | 3-oxolene |
| 3-Pentanol | 584-02-1 | C5H12O | 3-pentanol |
| 3-Pentanone | 96-22-0 | C5H10O | 3-pentanone |
| 3-Phenyl-1-Propanol | 122-97-4 | C9H12O | 3-phenyl-1-propanol |
| 3-Phenylbutanoic acid | 4593-90-2 | C10H12O2 | 3-phenylbutanoic-acid |
| 3-Phenylpropanal | 104-53-0 | C9H10O | 3-phenylpropanal |
| 3-Phenylpropanoyl chloride | 645-45-4 | C9H9ClO | 3-phenylpropanoyl-chloride |
| 3-Phenylpropylamine | 2038-57-5 | C9H13N | 3-phenylpropylamine |
| 3-Phenylthiophene | 2404-87-7 | C10H8S | 3-phenylthiophene |
| 3-phosphoglycerate | 820-11-1 | C3H7O7P | 3-phosphoglycerate |
| 3-Piperidinemethanol | 4606-65-9 | C6H13NO | 3-piperidinemethanol |
| 3-Propoxypropylamine | 16728-59-9 | C6H15NO | 3-propoxypropylamine |
| 3-Pyridinemethanol | 100-55-0 | C6H7NO | 3-pyridinemethanol |
| 3-Pyridinepropanol | 2859-67-8 | C8H11NO | 3-pyridinepropanol |
| 3-Pyrroline | 109-96-6 | C4H7N | 3-pyrroline |
| 3-Pyrroline-2-carboxylic acid | 3220-74-4 | C5H7NO2 | 3-pyrroline-2-carboxylic-acid |
| 3-Sulfolene | 28452-93-9 | C4H6O2S | 3-sulfolene |
| 3-Thiopheneacetic acid | 6964-21-2 | C6H6O2S | 3-thiopheneacetic-acid |
| 3-Thiophenecarboxaldehyde | 498-62-4 | C5H4OS | 3-thiophenecarboxaldehyde |
| 3-Ureidopropionic acid | 462-88-4 | C4H8N2O3 | 3-ureidopropionic-acid |
| 3.4-Dichlorobenzene thiol | 5858-17-3 | C6H4Cl2S | 34-dichlorobenzene-thiol |
| 3'-Chloroacetophenone | 99-02-5 | C8H7ClO | 3-chloroacetophenone |
| 3'-Chloropropiophenone | 34841-35-5 | C9H9ClO | 3-chloropropiophenone |
| 3'-Hydroxyacetophenone | 121-71-1 | C8H8O2 | 3-hydroxyacetophenone |
| 3'-Methoxyacetophenone | 586-37-8 | C9H10O2 | 3-methoxyacetophenone |
| 3'-Methylacetophenone | 585-74-0 | C9H10O | 3-methylacetophenone |
| 35Dimethyl octane | 15869-93-9 | C10H22 | 35dimethyl-octane |
| 4-(2-Aminoethyl)-2-methoxyphenol | 554-52-9 | C9H13NO2 | 4-2-aminoethyl-2-methoxyphenol |
| 4-(2-Aminoethyl)morpholine | 2038-03-1 | C6H14N2O | 4-2-aminoethylmorpholine |
| 4-(3-Pentyl)pyridine | 35182-51-5 | C10H15N | 4-3-pentylpyridine |
| 4-(Chloroacetyl)catechol | 99-40-1 | C8H7ClO3 | 4-chloroacetylcatechol |
| 4-(Chloromethyl)benzaldehyde | 73291-09-5 | C8H7ClO | 4-chloromethylbenzaldehyde |
| 4-(Chlorosulfonyl)benzoic acid | 10130-89-9 | C7H5ClO4S | 4-chlorosulfonylbenzoic-acid |
| 4-(Diethylamino)-2-butyn-1-ol | 10575-25-4 | C8H15NO | 4-diethylamino-2-butyn-1-ol |
| 4-(Diethylamino)aniline | 93-05-0 | C10H16N2 | 4-diethylaminoaniline |
| 4-(Diethylamino)butan-2-one | 3299-38-5 | C8H17NO | 4-diethylaminobutan-2-one |
| 4-(hydroxymethyl)quinoline | 6281-32-9 | C10H9NO | 4-hydroxymethylquinoline |
| 4-(Methylthio)benzaldehyde | 3446-89-7 | C8H8OS | 4-methylthiobenzaldehyde |
| 4-(Methylthio)benzenethiol | 1122-97-0 | C7H8S2 | 4-methylthiobenzenethiol |
| 4-(Trifluoromethoxy)aniline | 461-82-5 | C7H6F3NO | 4-trifluoromethoxyaniline |
| 4-(Trifluoromethoxy)benzenesulfonamide | 1513-45-7 | C7H6F3NO3S | 4-trifluoromethoxybenzenesulfonamide |
| 4-(trifluoromethyl)benzeneacetic Acid | 32857-62-8 | C9H7F3O2 | 4-trifluoromethylbenzeneacetic-acid |
| 4-(Trifluoromethyl)benzoyl chloride | 329-15-7 | C8H4ClF3O | 4-trifluoromethylbenzoyl-chloride |
| 4-(Trifluoromethyl)benzyl alcohol | 349-95-1 | C8H7F3O | 4-trifluoromethylbenzyl-alcohol |
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).