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.

Browse All 2593

A–ZA 93 B 92 C 104 D 199 E 103 F 17 G 32 H 53 I 83 J 1 K 3 L 15 M 143 N 101 O 39 P 149 Q 4 R 5 S 37 T 133 U 41 V 30WX 2YZ 1 # 1113

CarbonsC1–C4 539 C5–C8 1285 C9–C12 768 C13–C18 1C19+

Showing 161–240 of 1,113 · names starting with digits/symbols · page 3/14

Name	CAS	Formula	Slug
1-Methoxypropane	557-17-5	C4H10O	`1-methoxypropane`
1-Methyl-1H-pyrazole	930-36-9	C4H6N2	`1-methyl-1h-pyrazole`
1-Methyl-2-Propylbenzene	1074-17-5	C10H14	`1-methyl-2-propylbenzene`
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-Methyl-3-phenylpropylamine	22374-89-6	C10H15N	`1-methyl-3-phenylpropylamine`
1-methyl-4-prop-1-en-2-ylcyclohexene	138-86-3	C10H16	`1-methyl-4-prop-1-en-2-ylcyclohexene`
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-Methylhydantoin	616-04-6	C4H6N2O2	`1-methylhydantoin`
1-methylimidazole	616-47-7	C4H6N2	`1-methylimidazole`
1-Methylindole	603-76-9	C9H9N	`1-methylindole`
1-Methylisoquinoline	1721-93-3	C10H9N	`1-methylisoquinoline`
1-Methylnaphthalene	90-12-0	C11H10	`1-methylnaphthalene`
1-Methyloctyl acetate	14936-66-4	C11H22O2	`1-methyloctyl-acetate`
1-Methylpiperidin-4-ol	106-52-5	C6H13NO	`1-methylpiperidin-4-ol`
1-Methyltetraline	1559-81-5	C11H14	`1-methyltetraline`
1-Methylthio-3-buten-1-yne	13030-50-7	C5H6S	`1-methylthio-3-buten-1-yne`
1-Naphthaldehyde	66-77-3	C11H8O	`1-naphthaldehyde`
1-Naphthalenemethanol	4780-79-4	C11H10O	`1-naphthalenemethanol`
1-Naphthalenesulfonic Acid	85-47-2	C10H8O3S	`1-naphthalenesulfonic-acid`
1-Naphthoic Acid	86-55-5	C11H8O2	`1-naphthoic-acid`
1-Naphthol	90-15-3	C10H8O	`1-naphthol`
1-Naphthylamine	134-32-7	C10H9N	`1-naphthylamine`
1-Nonen-3-ol	21964-44-3	C9H18O	`1-nonen-3-ol`
1-O-Methylglycerol	623-39-2	C4H10O3	`1-o-methylglycerol`
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`
1-octanol	111-87-5	C8H18O	`1-octanol`
1-Octyn-3-Ol	818-72-4	C8H14O	`1-octyn-3-ol`
1-Penten-3-Ol	616-25-1	C5H10O	`1-penten-3-ol`
1-Pentene	109-67-1	C5H10	`1-pentene`
1-Pentyn-3-ol	4187-86-4	C5H8O	`1-pentyn-3-ol`
1-Phenyl-1-butyne	622-76-4	C10H10	`1-phenyl-1-butyne`
1-Phenyl-1-propanol	93-54-9	C9H12O	`1-phenyl-1-propanol`
1-Phenyl-1-propyne	673-32-5	C9H8	`1-phenyl-1-propyne`
1-Phenyl-2-(trimethylsilyl)acetylene	2170-06-1	C11H14Si	`1-phenyl-2-trimethylsilylacetylene`
1-Phenylcyclopropanemethanol	31729-66-5	C10H12O	`1-phenylcyclopropanemethanol`
1-Phenylethanamine	98-84-0	C8H11N	`1-phenylethanamine`
1-Phenylprop-2-yn-1-ol	4187-87-5	C9H8O	`1-phenylprop-2-yn-1-ol`
1-Propanol	71-23-8	C3H8O	`n-propanol`
1-Vinylimidazole	1072-63-5	C5H6N2	`1-vinylimidazole`
1,2-bis(trichlorosilyl)ethane	2504-64-5	C2H4Cl6Si2	`1-2-bis-trichlorosilyl-ethane`
1,4-Dioxane	123-91-1	C4H8O2	`1-4-dioxane`
1(2h)-Phthalazinone	119-39-1	C8H6N2O	`12h-phthalazinone`
10-Chloro-3-decyne	18295-64-2	C10H17Cl	`10-chloro-3-decyne`
12-Crown-4	294-93-9	C8H16O4	`12-crown-4`
1H-Pyrrole-2-carbaldehyde	1003-29-8	C5H5NO	`1h-pyrrole-2-carbaldehyde`
2-(1H-Imidazol-1-Yl)Acetic Acid	22884-10-2	C5H6N2O2	`2-1h-imidazol-1-ylacetic-acid`
2-(2-(Dimethylamino)ethoxy)ethanol	1704-62-7	C6H15NO2	`2-2-dimethylaminoethoxyethanol`
2-(2-aminoethoxy)ethanamine	2752-17-2	C4H12N2O	`2-2-aminoethoxyethanamine`
2-(2-Butoxyethoxy)ethyl acetate	124-17-4	C10H20O4	`2-2-butoxyethoxyethyl-acetate`
2-(2-Chloroethoxy)ethanol	628-89-7	C4H9ClO2	`2-2-chloroethoxyethanol`
2-(2-Chlorophenoxy)propanoic acid	25140-86-7	C9H9ClO3	`2-2-chlorophenoxypropanoic-acid`
2-(2-Chlorophenyl)ethylamine	13078-80-3	C8H10ClN	`2-2-chlorophenylethylamine`
2-(2-Ethoxyethoxy)-2-methylpropane	51422-54-9	C8H18O2	`2-2-ethoxyethoxy-2-methylpropane`
2-(2-Ethoxyethoxy)ethyl Acetate	112-15-2	C8H16O4	`2-2-ethoxyethoxyethyl-acetate`
2-(2-Ethoxyethoxy)ethyl acrylate	7328-17-8	C9H16O4	`2-2-ethoxyethoxyethyl-acrylate`
2-(2-Hydroxyethoxy)phenol	4792-78-3	C8H10O3	`2-2-hydroxyethoxyphenol`
2-(2-Methoxyethoxy)-2-methylpropane	66728-50-5	C7H16O2	`2-2-methoxyethoxy-2-methylpropane`
2-(2-Methoxyphenoxy)acetic acid	1878-85-9	C9H10O4	`2-2-methoxyphenoxyacetic-acid`
2-(2'-Thienyl)pyridine	3319-99-1	C9H7NS	`2-2-thienylpyridine`
2-(3-Pentyl)pyridine	7399-50-0	C10H15N	`2-3-pentylpyridine`
2-(4-(Dimethylamino)phenyl)ethanol	50438-75-0	C10H15NO	`2-4-dimethylaminophenylethanol`
2-(4-Bromophenyl)ethanol	4654-39-1	C8H9BrO	`2-4-bromophenylethanol`
2-(4-Fluorophenyl)acetic acid	405-50-5	C8H7FO2	`2-4-fluorophenylacetic-acid`
2-(4-Hydroxyphenyl)propionic acid	938-96-5	C9H10O3	`2-4-hydroxyphenylpropionic-acid`
2-(Bromomethyl)acrylic acid	72707-66-5	C4H5BrO2	`2-bromomethylacrylic-acid`
2-(Butylthio)ethanol	5331-37-3	C6H14OS	`2-butylthioethanol`
2-(carbamoylamino)pentanedioic acid	40860-26-2	C6H10N2O5	`2-carbamoylaminopentanedioic-acid`
2-(Chloromethyl)-m-dioxane	2568-30-1	C4H7ClO2	`2-chloromethyl-m-dioxane`
2-(Chloromethyl)pyridine	4377-33-7	C6H6ClN	`2-chloromethylpyridine`
2-(cyclohexylamino)ethanol	2842-38-8	C8H17NO	`2-cyclohexylaminoethanol`
2-(Diethylamino)ethanol	100-37-8	C6H15NO	`2-diethylaminoethanol`
2-(Diethylamino)ethyl methacrylate	105-16-8	C10H19NO2	`2-diethylaminoethyl-methacrylate`
2-(Dimethylamino)ethanol	108-01-0	C4H11NO	`2-dimethylaminoethanol`
2-(Dimethylamino)ethyl acetate	1421-89-2	C6H13NO2	`2-dimethylaminoethyl-acetate`
2-(Ethylthio)propane	5145-99-3	C5H12S	`2-ethylthiopropane`
2-(Methylamino)ethanol	109-83-1	C3H9NO	`2-methylaminoethanol`

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).