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 961–1040 of 2,593 · all compounds · page 13/33
| Name | CAS | Formula | Slug |
|---|---|---|---|
| 4-Phenylbutylamine | 13214-66-9 | C10H15N | 4-phenylbutylamine |
| 4-Phenylbutyric Acid | 1821-12-1 | C10H12O2 | 4-phenylbutyric-acid |
| 4-Phenylpyrimidine | 3438-48-0 | C10H8N2 | 4-phenylpyrimidine |
| 4-Phenylurazole | 15988-11-1 | C8H7N3O2 | 4-phenylurazole |
| 4-Piperidinopyridine | 2767-90-0 | C10H14N2 | 4-piperidinopyridine |
| 4-Propylaniline | 2696-84-6 | C9H13N | 4-propylaniline |
| 4-Propylbenzoyl chloride | 52710-27-7 | C10H11ClO | 4-propylbenzoyl-chloride |
| 4-Propylpyridine | 1122-81-2 | C8H11N | 4-propylpyridine |
| 4-Pyridoxic acid | 82-82-6 | C8H9NO4 | 4-pyridoxic-acid |
| 4-sec-Butylphenol | 99-71-8 | C10H14O | 4-sec-butylphenol |
| 4-tert-Butylaniline | 769-92-6 | C10H15N | 4-tert-butylaniline |
| 4-tert-Butylanisole | 5396-38-3 | C11H16O | 4-tert-butylanisole |
| 4-tert-Butylcatechol | 98-29-3 | C10H14O2 | 4-tert-butylcatechol |
| 4-tert-Butylcyclohexanone | 98-53-3 | C10H18O | 4-tert-butylcyclohexanone |
| 4'-Aminoacetophenone | 99-92-3 | C8H9NO | 4-aminoacetophenone |
| 4'-Bromoacetophenone | 99-90-1 | C8H7BrO | 4-bromoacetophenone |
| 4'-Bromopropiophenone | 10342-83-3 | C9H9BrO | 4-bromopropiophenone |
| 4'-Chloroacetoacetanilide | 101-92-8 | C10H10ClNO2 | 4-chloroacetoacetanilide |
| 4'-Chloroacetophenone | 99-91-2 | C8H7ClO | 4-chloroacetophenone |
| 4'-Chlorobutyrophenone | 4981-63-9 | C10H11ClO | 4-chlorobutyrophenone |
| 4'-Fluoroacetophenone | 403-42-9 | C8H7FO | 4-fluoroacetophenone |
| 4'-Hydroxyacetophenone | 99-93-4 | C8H8O2 | 4-hydroxyacetophenone |
| 4'-Methylpropiophenone | 5337-93-9 | C10H12O | 4-methylpropiophenone |
| 5-(2-Methylthioethyl)hydantoin | 13253-44-6 | C6H10N2O2S | 5-2-methylthioethylhydantoin |
| 5-Amino-1-pentanol | 2508-29-4 | C5H13NO | 5-amino-1-pentanol |
| 5-Amino-1H-pyrazole | 916420-28-5 | C3H5N3 | 5-amino-1h-pyrazole |
| 5-Amino-m-xylene | 108-69-0 | C8H11N | 5-amino-m-xylene |
| 5-Aminoindan | 24425-40-9 | C9H11N | 5-aminoindan |
| 5-Aminoindole | 5192-03-0 | C8H8N2 | 5-aminoindole |
| 5-Aminoisoxazole | 14678-05-8 | C3H4N2O | 5-aminoisoxazole |
| 5-azacytidine | 320-67-2 | C8H12N4O5 | 5-azacytidine |
| 5-Azauracil | 71-33-0 | C3H3N3O2 | 5-azauracil |
| 5-Benzimidazolecarboxylic acid | 15788-16-6 | C8H6N2O2 | 5-benzimidazolecarboxylic-acid |
| 5-Bromo-2-chloropyridine | 53939-30-3 | C5H3BrClN | 5-bromo-2-chloropyridine |
| 5-Bromo-2-chloropyrimidine | 32779-36-5 | C4H2BrClN2 | 5-bromo-2-chloropyrimidine |
| 5-Bromo-2-fluorobenzotrifluoride | 393-37-3 | C7H3BrF4 | 5-bromo-2-fluorobenzotrifluoride |
| 5-Bromo-2-methoxybenzaldehyde | 25016-01-7 | C8H7BrO2 | 5-bromo-2-methoxybenzaldehyde |
| 5-Bromo-2-methoxybenzyl alcohol | 80866-82-6 | C8H9BrO2 | 5-bromo-2-methoxybenzyl-alcohol |
| 5-Bromo-2-methylpyridine | 3430-13-5 | C6H6BrN | 5-bromo-2-methylpyridine |
| 5-Bromo-2-pyrimidinone | 38353-06-9 | C4H3BrN2O | 5-bromo-2-pyrimidinone |
| 5-Bromo-6-methylpyridin-2-amine | 42753-71-9 | C6H7BrN2 | 5-bromo-6-methylpyridin-2-amine |
| 5-Bromophthalide | 64169-34-2 | C8H5BrO2 | 5-bromophthalide |
| 5-Bromovaleric acid | 2067-33-6 | C5H9BrO2 | 5-bromovaleric-acid |
| 5-Chloro-1-pentanol | 5259-98-3 | C5H11ClO | 5-chloro-1-pentanol |
| 5-Chloro-2-fluoroaniline | 2106-05-0 | C6H5ClFN | 5-chloro-2-fluoroaniline |
| 5-chloro-2-methoxybenzonitrile | 55877-79-7 | C8H6ClNO | 5-chloro-2-methoxybenzonitrile |
| 5-Chloro-2-pentanone | 5891-21-4 | C5H9ClO | 5-chloro-2-pentanone |
| 5-Chloro-3-hydroxy-2-pyridone | 53233-89-9 | C5H4ClNO2 | 5-chloro-3-hydroxy-2-pyridone |
| 5-Chloro-3-hydroxypyridine | 74115-12-1 | C5H4ClNO | 5-chloro-3-hydroxypyridine |
| 5-Chlorobenzotriazole | 94-97-3 | C6H4ClN3 | 5-chlorobenzotriazole |
| 5-Chloroindole | 17422-32-1 | C8H6ClN | 5-chloroindole |
| 5-Chloromethylfurfural | 1623-88-7 | C6H5ClO2 | 5-chloromethylfurfural |
| 5-Chloromethyloxazolidin-2-one | 22625-57-6 | C4H6ClNO2 | 5-chloromethyloxazolidin-2-one |
| 5-Chlororesorcinol dimethyl ether | 7051-16-3 | C8H9ClO2 | 5-chlororesorcinol-dimethyl-ether |
| 5-Chlorothiophene-2-boronic acid | 162607-18-3 | C4H4BClO2S | 5-chlorothiophene-2-boronic-acid |
| 5-Chlorovaleric acid | 1119-46-6 | C5H9ClO2 | 5-chlorovaleric-acid |
| 5-Chlorovaleronitrile | 6280-87-1 | C5H8ClN | 5-chlorovaleronitrile |
| 5-Diethylamino-2-pentanol | 5412-69-1 | C9H21NO | 5-diethylamino-2-pentanol |
| 5-Fluoro-2-methoxybenzonitrile | 189628-38-4 | C8H6FNO | 5-fluoro-2-methoxybenzonitrile |
| 5-Fluorocytidine | 2341-22-2 | C9H12FN3O5 | 5-fluorocytidine |
| 5-Formyl-2-thiopheneboronic acid | 4347-33-5 | C5H5BO3S | 5-formyl-2-thiopheneboronic-acid |
| 5-Formylsalicylic acid | 616-76-2 | C8H6O4 | 5-formylsalicylic-acid |
| 5-Hexenal | 764-59-0 | C6H10O | 5-hexenal |
| 5-Hexene-2-one | 109-49-9 | C6H10O | 5-hexene-2-one |
| 5-Hexyn-3-ol | 19780-84-8 | C6H10O | 5-hexyn-3-ol |
| 5-Hydroxy-2-methylpyridine | 1121-78-4 | C6H7NO | 5-hydroxy-2-methylpyridine |
| 5-Hydroxyindole-3-acetic acid | 54-16-0 | C10H9NO3 | 5-hydroxyindole-3-acetic-acid |
| 5-Hydroxyisophthalic acid | 618-83-7 | C8H6O5 | 5-hydroxyisophthalic-acid |
| 5-Hydroxymethylfurfural | 67-47-0 | C6H6O3 | 5-hydroxymethylfurfural |
| 5-Hydroxymethyluracil | 4433-40-3 | C5H6N2O3 | 5-hydroxymethyluracil |
| 5-hydroxynaphthalene-1-sulfonamide | 17286-26-9 | C10H9NO3S | 5-hydroxynaphthalene-1-sulfonamide |
| 5-Hydroxyquinoline | 578-67-6 | C9H7NO | 5-hydroxyquinoline |
| 5-Indanol | 1470-94-6 | C9H10O | 5-indanol |
| 5-Iodovanillin | 5438-36-8 | C8H7IO3 | 5-iodovanillin |
| 5-Isopropylhydantoin | 16935-34-5 | C6H10N2O2 | 5-isopropylhydantoin |
| 5-Mercapto-1-methyltetrazole | 13183-79-4 | C2H4N4S | 5-mercapto-1-methyltetrazole |
| 5-Methoxy-2-methylbenzoselenazole | 2946-17-0 | C9H9NOSe | 5-methoxy-2-methylbenzoselenazole |
| 5-Methoxy-2-methylbenzothiazole | 2941-69-7 | C9H9NOS | 5-methoxy-2-methylbenzothiazole |
| 5-Methoxy-2-methylindole | 1076-74-0 | C10H11NO | 5-methoxy-2-methylindole |
| 5-Methoxyindole-3-acetic acid | 3471-31-6 | C11H11NO3 | 5-methoxyindole-3-acetic-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).