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 321–400 of 1,285 · formula C5–C8 · page 5/17
| Name | CAS | Formula | Slug |
|---|---|---|---|
| 3-(Trifluoromethyl)phenyl isothiocyanate | 1840-19-3 | C8H4F3NS | 3-trifluoromethylphenyl-isothiocyanate |
| 3-Acetamidopyrrolidine | 79286-74-1 | C6H12N2O | 3-acetamidopyrrolidine |
| 3-Acetylbenzenesulfonyl fluoride | 709-60-4 | C8H7FO3S | 3-acetylbenzenesulfonyl-fluoride |
| 3-acetyloxy-2-aminopropanoic acid | 4985-36-8 | C5H9NO4 | 3-acetyloxy-2-aminopropanoic-acid |
| 3-Acetylphenylboronic acid | 204841-19-0 | C8H9BO3 | 3-acetylphenylboronic-acid |
| 3-Amino-2-chloropyridine | 6298-19-7 | C5H5ClN2 | 3-amino-2-chloropyridine |
| 3-Amino-4-methoxybenzamide | 17481-27-5 | C8H10N2O2 | 3-amino-4-methoxybenzamide |
| 3-Amino-4-methylpentanoic acid | 5699-54-7 | C6H13NO2 | 3-amino-4-methylpentanoic-acid |
| 3-Amino-4-picoline | 3430-27-1 | C6H8N2 | 3-amino-4-picoline |
| 3-Amino-o-xylene | 87-59-2 | C8H11N | 3-amino-o-xylene |
| 3-aminoazepan-2-one | 671-42-1 | C6H12N2O | 3-aminoazepan-2-one |
| 3-Aminopentane | 616-24-0 | C5H13N | 3-aminopentane |
| 3-Aminophenol | 591-27-5 | C6H7NO | 3-aminophenol |
| 3-bromo-1-benzofuran | 59214-70-9 | C8H5BrO | 3-bromo-1-benzofuran |
| 3-Bromo-2-chloropyridine | 52200-48-3 | C5H3BrClN | 3-bromo-2-chloropyridine |
| 3-Bromo-2-hydroxypyridine | 13466-43-8 | C5H4BrNO | 3-bromo-2-hydroxypyridine |
| 3-Bromo-4-methoxybenzonitrile | 117572-79-9 | C8H6BrNO | 3-bromo-4-methoxybenzonitrile |
| 3-Bromo-5-chlorobenzonitrile | 304854-55-5 | C7H3BrClN | 3-bromo-5-chlorobenzonitrile |
| 3-Bromo-6-hydroxy-2-methylpyridine | 54923-31-8 | C6H6BrNO | 3-bromo-6-hydroxy-2-methylpyridine |
| 3-Bromoaniline | 591-19-5 | C6H6BrN | 3-bromoaniline |
| 3-Bromophenylacetic acid | 1878-67-7 | C8H7BrO2 | 3-bromophenylacetic-acid |
| 3-Butylthiophene | 34722-01-5 | C8H12S | 3-butylthiophene |
| 3-Chloro-2-methylanisole | 3260-88-6 | C8H9ClO | 3-chloro-2-methylanisole |
| 3-Chloro-6-Methoxypyridazine | 1722-10-7 | C5H5ClN2O | 3-chloro-6-methoxypyridazine |
| 3-Chloroaniline | 108-42-9 | C6H6ClN | 3-chloroaniline |
| 3-Chlorobenzyl chloride | 620-20-2 | C7H6Cl2 | 3-chlorobenzyl-chloride |
| 3-Chlorobenzyl cyanide | 1529-41-5 | C8H6ClN | 3-chlorobenzyl-cyanide |
| 3-Chlorohexane | 2346-81-8 | C6H13Cl | 3-chlorohexane |
| 3-Chlorophenol | 108-43-0 | C6H5ClO | 3-chlorophenol |
| 3-Chlorophenoxyacetonitrile | 43111-32-6 | C8H6ClNO | 3-chlorophenoxyacetonitrile |
| 3-Chloropivaloyl chloride | 4300-97-4 | C5H8Cl2O | 3-chloropivaloyl-chloride |
| 3-Cyanopropyldimethylchlorosilane | 18156-15-5 | C6H12ClNSi | 3-cyanopropyldimethylchlorosilane |
| 3-cyanopyridine | 100-54-9 | C6H4N2 | 3-cyanopyridine |
| 3-Cyclopenten-1-ol | 14320-38-8 | C5H8O | 3-cyclopenten-1-ol |
| 3-Cyclopropyl-2-propynoic acid | 7358-93-2 | C6H6O2 | 3-cyclopropyl-2-propynoic-acid |
| 3-Dimethylaminopropionitrile | 1738-25-6 | C5H10N2 | 3-dimethylaminopropionitrile |
| 3-Dimethylaminopropylamine | 109-55-7 | C5H14N2 | 3-dimethylaminopropylamine |
| 3-Ethoxypropanenitrile | 2141-62-0 | C5H9NO | 3-ethoxypropanenitrile |
| 3-Ethoxypropionic acid | 4324-38-3 | C5H10O3 | 3-ethoxypropionic-acid |
| 3-Ethoxypropylamine | 6291-85-6 | C5H13NO | 3-ethoxypropylamine |
| 3-Ethyl-2-methyl-3-pentanol | 597-05-7 | C8H18O | 3-ethyl-2-methyl-3-pentanol |
| 3-Ethyl-2-methylpentane | 609-26-7 | C8H18 | 3-ethyl-2-methylpentane |
| 3-Ethyl-4-methylpyridine | 529-21-5 | C8H11N | 3-ethyl-4-methylpyridine |
| 3-Ethylaniline | 587-02-0 | C8H11N | 3-ethylaniline |
| 3-Ethylhexane | 619-99-8 | C8H18 | 3-ethylhexane |
| 3-Ethylphenol | 620-17-7 | C8H10O | 3-ethylphenol |
| 3-Ethylthiophene | 1795-01-3 | C6H8S | 3-ethylthiophene |
| 3-Fluoro-4-methoxybenzaldehyde | 351-54-2 | C8H7FO2 | 3-fluoro-4-methoxybenzaldehyde |
| 3-Fluoro-o-xylene | 443-82-3 | C8H9F | 3-fluoro-o-xylene |
| 3-Fluorophthalic acid | 1583-67-1 | C8H5FO4 | 3-fluorophthalic-acid |
| 3-Formylbenzoic Acid | 619-21-6 | C8H6O3 | 3-formylbenzoic-acid |
| 3-Formylsalicylic acid | 610-04-8 | C8H6O4 | 3-formylsalicylic-acid |
| 3-Furoic Acid | 488-93-7 | C5H4O3 | 3-furoic-acid |
| 3-Hydroxy-1-methylpiperidine | 3554-74-3 | C6H13NO | 3-hydroxy-1-methylpiperidine |
| 3-Hydroxy-2-pyridone | 16867-04-2 | C5H5NO2 | 3-hydroxy-2-pyridone |
| 3-Hydroxy-3-Methyl-2-Butanone | 115-22-0 | C5H10O2 | 3-hydroxy-3-methyl-2-butanone |
| 3-Hydroxy-3-methylpentanoic acid | 150-96-9 | C6H12O3 | 3-hydroxy-3-methylpentanoic-acid |
| 3-Hydroxybenzenethiol | 40248-84-8 | C6H6OS | 3-hydroxybenzenethiol |
| 3-Hydroxymandelic acid | 17119-15-2 | C8H8O4 | 3-hydroxymandelic-acid |
| 3-Hydroxyphenylacetic acid | 621-37-4 | C8H8O3 | 3-hydroxyphenylacetic-acid |
| 3-Iodoaniline | 626-01-7 | C6H6IN | 3-iodoaniline |
| 3-Iodophenol | 626-02-8 | C6H5IO | 3-iodophenol |
| 3-Isopropoxypropylamine | 2906-12-9 | C6H15NO | 3-isopropoxypropylamine |
| 3-Methoxy-3-methylbutan-1-ol | 56539-66-3 | C6H14O2 | 3-methoxy-3-methylbutan-1-ol |
| 3-Methoxy-5-methylphenol | 3209-13-0 | C8H10O2 | 3-methoxy-5-methylphenol |
| 3-Methoxybenzaldehyde | 591-31-1 | C8H8O2 | 3-methoxybenzaldehyde |
| 3-Methoxybenzamide | 5813-86-5 | C8H9NO2 | 3-methoxybenzamide |
| 3-Methoxybutan-1-ol | 2517-43-3 | C5H12O2 | 3-methoxybutan-1-ol |
| 3-Methoxytoluene | 100-84-5 | C8H10O | 3-methoxytoluene |
| 3-Methyl-1-butanethiol | 541-31-1 | C5H12S | 3-methyl-1-butanethiol |
| 3-Methyl-1-heptanol | 1070-32-2 | C8H18O | 3-methyl-1-heptanol |
| 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-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 |
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).