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 1,285 · formula C5–C8 · page 1/17
| Name | CAS | Formula | Slug |
|---|---|---|---|
| (+-)-Citramalic acid | 597-44-4 | C5H8O5 | citramalic-acid |
| (+-)-Pantolactone | 79-50-5 | C6H10O3 | pantolactone |
| (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-Chloroethoxy)benzene | 622-86-6 | C8H9ClO | 2-chloroethoxybenzene |
| (2-Chloroethyl)benzene | 622-24-2 | C8H9Cl | 2-chloroethylbenzene |
| (3-bromophenyl)boronic Acid | 89598-96-9 | C6H6BBrO2 | 3-bromophenylboronic-acid |
| (3-hydroxyphenyl)boronic Acid | 87199-18-6 | C6H7BO3 | 3-hydroxyphenylboronic-acid |
| (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 |
| (Butylamino)acetonitrile | 3010-04-6 | C6H12N2 | butylaminoacetonitrile |
| (Chloroethynyl)benzene | 1483-82-5 | C8H5Cl | chloroethynylbenzene |
| (diethoxymethyl)dimethylamine | 1188-33-6 | C7H17NO2 | diethoxymethyldimethylamine |
| (Ethylsulfonyl)benzene | 599-70-2 | C8H10O2S | ethylsulfonylbenzene |
| (Methoxymethyl)trimethylsilane | 14704-14-4 | C5H14OSi | methoxymethyltrimethylsilane |
| (Pentafluorophenyl)acetonitrile | 653-30-5 | C8H2F5N | pentafluorophenylacetonitrile |
| (RS)-2-Methylbutyryl chloride | 57526-28-0 | C5H9ClO | rs-2-methylbutyryl-chloride |
| (Trifluoromethoxy)benzene | 456-55-3 | C7H5F3O | trifluoromethoxybenzene |
| (Trimethylsilyl)acetic acid | 2345-38-2 | C5H12O2Si | trimethylsilylacetic-acid |
| [(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 |
| 1-(2-Chlorophenyl)ethanol | 13524-04-4 | C8H9ClO | 1-2-chlorophenylethanol |
| 1-(2-Hydroxyethyl)pyrrolidin-2-one | 3445-11-2 | C6H11NO2 | 1-2-hydroxyethylpyrrolidin-2-one |
| 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-(4-Bromophenyl)ethanol | 5391-88-8 | C8H9BrO | 1-4-bromophenylethanol |
| 1-(4-Fluorophenyl)ethylamine | 403-40-7 | C8H10FN | 1-4-fluorophenylethylamine |
| 1-(4-Iodophenyl)ethan-1-one | 13329-40-3 | C8H7IO | 1-4-iodophenylethan-1-one |
| 1-(Dichloromethyl)-4-fluorobenzene | 456-19-9 | C7H5Cl2F | 1-dichloromethyl-4-fluorobenzene |
| 1-(thiophen-3-yl)ethanone | 1468-83-3 | C6H6OS | 1-thiophen-3-ylethanone |
| 1-Acetyl-2-phenylhydrazine | 114-83-0 | C8H10N2O | 1-acetyl-2-phenylhydrazine |
| 1-Acetylpiperazine | 13889-98-0 | C6H12N2O | 1-acetylpiperazine |
| 1-aminobenzotriazole | 1614-12-6 | C6H6N4 | 1-aminobenzotriazole |
| 1-Bromo-2-chloro-3-fluorobenzene | 883499-24-9 | C6H3BrClF | 1-bromo-2-chloro-3-fluorobenzene |
| 1-Bromo-2-chlorobenzene | 694-80-4 | C6H4BrCl | 1-bromo-2-chlorobenzene |
| 1-Bromo-2-Iodobenzene | 583-55-1 | C6H4BrI | 1-bromo-2-iodobenzene |
| 1-Bromo-3-chlorobenzene | 108-37-2 | C6H4BrCl | 1-bromo-3-chlorobenzene |
| 1-Bromo-3-Methylbutane | 107-82-4 | C5H11Br | 1-bromo-3-methylbutane |
| 1-Bromo-5-chloropentane | 54512-75-3 | C5H10BrCl | 1-bromo-5-chloropentane |
| 1-Bromo-6-chlorohexane | 6294-17-3 | C6H12BrCl | 1-bromo-6-chlorohexane |
| 1-Bromohexane | 111-25-1 | C6H13Br | 1-bromohexane |
| 1-Bromopentane | 110-53-2 | C5H11Br | 1-bromopentane |
| 1-Chloro-2-ethoxybenzene | 614-72-2 | C8H9ClO | 1-chloro-2-ethoxybenzene |
| 1-Chloro-2-iodobenzene | 615-41-8 | C6H4ClI | 1-chloro-2-iodobenzene |
| 1-Chloro-3-iodobenzene | 625-99-0 | C6H4ClI | 1-chloro-3-iodobenzene |
| 1-Chloro-3-Methylbutane | 107-84-6 | C5H11Cl | 1-chloro-3-methylbutane |
| 1-Chloro-4-(trifluoromethoxy)benzene | 461-81-4 | C7H4ClF3O | 1-chloro-4-trifluoromethoxybenzene |
| 1-Chloro-4-ethoxybenzene | 622-61-7 | C8H9ClO | 1-chloro-4-ethoxybenzene |
| 1-Chlorohexane | 544-10-5 | C6H13Cl | 1-chlorohexane |
| 1-Chlorooctane | 111-85-3 | C8H17Cl | 1-chlorooctane |
| 1-Chloropent-2-yne | 22592-15-0 | C5H7Cl | 1-chloropent-2-yne |
| 1-Chloropentane | 543-59-9 | C5H11Cl | 1-chloropentane |
| 1-Cl-DMB | 6781-98-2 | C8H9Cl | 1-cl-dmb |
| 1-Cyanoallyl acetate | 15667-63-7 | C6H7NO2 | 1-cyanoallyl-acetate |
| 1-Ethoxy-4-iodobenzene | 699-08-1 | C8H9IO | 1-ethoxy-4-iodobenzene |
| 1-Ethyl-2-Pyrrolidinone | 2687-91-4 | C6H11NO | 1-ethyl-2-pyrrolidinone |
| 1-Hexanol | 111-27-3 | C6H14O | 1-hexanol |
| 1-Hexen-3-Ol | 4798-44-1 | C6H12O | 1-hexen-3-ol |
| 1-Hexyn-3-Ol | 105-31-7 | C6H10O | 1-hexyn-3-ol |
| 1-Hexyne | 693-02-7 | C6H10 | 1-hexyne |
| 1-Imino-1H-isoindol-3-amine | 3468-11-9 | C8H7N3 | 1-imino-1h-isoindol-3-amine |
| 1-Iodo-2-methylbutane | 616-14-8 | C5H11I | 1-iodo-2-methylbutane |
| 1-Iodo-3-methylbutane | 541-28-6 | C5H11I | 1-iodo-3-methylbutane |
| 1-Iodo-4-(trifluoromethoxy)benzene | 103962-05-6 | C7H4F3IO | 1-iodo-4-trifluoromethoxybenzene |
| 1-Iodohexane | 638-45-9 | C6H13I | 1-iodohexane |
| 1-Iodooctane | 629-27-6 | C8H17I | 1-iodooctane |
| 1-Iodopentane | 628-17-1 | C5H11I | 1-iodopentane |
| 1-Methoxy-2-Butanol | 53778-73-7 | C5H12O2 | 1-methoxy-2-butanol |
| 1-Methyl-2-pyrrolecarboxylic acid | 6973-60-0 | C6H7NO2 | 1-methyl-2-pyrrolecarboxylic-acid |
| 1-Methyl-2-Pyrrolidinone | 872-50-4 | C5H9NO | 1-methyl-2-pyrrolidinone |
| 1-Methylallyl acetate | 6737-11-7 | C6H10O2 | 1-methylallyl-acetate |
| 1-Methylcyclopropane-1-carboxylic acid | 6914-76-7 | C5H8O2 | 1-methylcyclopropane-1-carboxylic-acid |
| 1-Methylpiperidin-4-ol | 106-52-5 | C6H13NO | 1-methylpiperidin-4-ol |
| 1-Methylthio-3-buten-1-yne | 13030-50-7 | C5H6S | 1-methylthio-3-buten-1-yne |
| 1-O-phosphonohexopyranose | 6799-01-5 | C6H13O9P | 1-o-phosphonohexopyranose |
| 1-Octanesulfonyl chloride | 7795-95-1 | C8H17ClO2S | 1-octanesulfonyl-chloride |
| 1-Octanethiol | 111-88-6 | C8H18S | 1-octanethiol |
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).