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 1041–1120 of 2,593 · all compounds · page 14/33

Name	CAS	Formula	Slug
5-Methoxytryptamine	608-07-1	C11H14N2O	`5-methoxytryptamine`
5-Methyl-1H-indole-2-carboxylic acid	10241-97-1	C10H9NO2	`5-methyl-1h-indole-2-carboxylic-acid`
5-Methyl-2-Heptanol	54630-50-1	C8H18O	`5-methyl-2-heptanol`
5-Methyl-2-Hexanone	110-12-3	C7H14O	`5-methyl-2-hexanone`
5-Methyl-2-Thiophenecarboxaldehyde	13679-70-4	C6H6OS	`5-methyl-2-thiophenecarboxaldehyde`
5-Methyl-5-phenylhydantoin	6843-49-8	C10H10N2O2	`5-methyl-5-phenylhydantoin`
5-Methylcytosine	554-01-8	C5H7N3O	`5-methylcytosine`
5-Methylfurfural	620-02-0	C6H6O2	`5-methylfurfural`
5-Methylheptan-3-ol	18720-65-5	C8H18O	`5-methylheptan-3-ol`
5-Methylheptan-3-one	541-85-5	C8H16O	`5-methylheptan-3-one`
5-Methylhydantoin	616-03-5	C4H6N2O2	`5-methylhydantoin`
5-Methylisoxazole	5765-44-6	C4H5NO	`5-methylisoxazole`
5-Methylisoxazole-4-carboxylic acid	42831-50-5	C5H5NO3	`5-methylisoxazole-4-carboxylic-acid`
5-Methylnonane	15869-85-9	C10H22	`5-methylnonane`
5-Methylpyrazine-2-carboxylic Acid	5521-55-1	C6H6N2O2	`5-methylpyrazine-2-carboxylic-acid`
5-Methyltetralin	2809-64-5	C11H14	`5-methyltetralin`
5'-Fluoro-2'-hydroxyacetophenone	394-32-1	C8H7FO2	`5-fluoro-2-hydroxyacetophenone`
6-acetamido-2-aminohexanoic acid	1071-49-4	C8H16N2O3	`6-acetamido-2-aminohexanoic-acid`
6-aminohexanoic acid	60-32-2	C6H13NO2	`6-aminohexanoic-acid`
6-Aza-2-thiothymine	615-76-9	C4H5N3OS	`6-aza-2-thiothymine`
6-Azathymine	932-53-6	C4H5N3O2	`6-azathymine`
6-Bromo-1-hexanol	4286-55-9	C6H13BrO	`6-bromo-1-hexanol`
6-Bromo-1-hexene	2695-47-8	C6H11Br	`6-bromo-1-hexene`
6-Bromo-2-hydroxy-3-methoxybenzaldehyde	20035-41-0	C8H7BrO3	`6-bromo-2-hydroxy-3-methoxybenzaldehyde`
6-Bromo-2-naphthol	15231-91-1	C10H7BrO	`6-bromo-2-naphthol`
6-Bromohexanenitrile	6621-59-6	C6H10BrN	`6-bromohexanenitrile`
6-Bromohexanoic Acid	4224-70-8	C6H11BrO2	`6-bromohexanoic-acid`
6-Bromohexanoyl chloride	22809-37-6	C6H10BrClO	`6-bromohexanoyl-chloride`
6-bromoindole-3-carbaldehyde	17826-04-9	C9H6BrNO	`6-bromoindole-3-carbaldehyde`
6-Chloro-1-hexanol	2009-83-8	C6H13ClO	`6-chloro-1-hexanol`
6-Chloro-1-hexyne	10297-06-0	C6H9Cl	`6-chloro-1-hexyne`
6-Chlorohexanoic acid	4224-62-8	C6H11ClO2	`6-chlorohexanoic-acid`
6-Chloroindole	17422-33-2	C8H6ClN	`6-chloroindole`
6-Chloronicotinamide	6271-78-9	C6H5ClN2O	`6-chloronicotinamide`
6-Chloronicotinoyl chloride	58757-38-3	C6H3Cl2NO	`6-chloronicotinoyl-chloride`
6-Chlorooxindole	56341-37-8	C8H6ClNO	`6-chlorooxindole`
6-Chloropurine	87-42-3	C5H3ClN4	`6-chloropurine`
6-Chlorouracil	4270-27-3	C4H3ClN2O2	`6-chlorouracil`
6-deoxy-hexose	97466-79-0	C6H12O5	`6-deoxy-hexose`
6-Fluoro-2-methylquinoline	1128-61-6	C10H8FN	`6-fluoro-2-methylquinoline`
6-Fluoroindole	399-51-9	C8H6FN	`6-fluoroindole`
6-Fluorotetralin	2840-40-6	C10H11F	`6-fluorotetralin`
6-Hydroxynicotinic acid	5006-66-6	C6H5NO3	`6-hydroxynicotinic-acid`
6-hydroxypyrimidin-4(3H)-one	1193-24-4	C4H4N2O2	`6-hydroxypyrimidin-43h-one`
6-Hydroxyquinoline	580-16-5	C9H7NO	`6-hydroxyquinoline`
6-Methoxy-1-indanone	13623-25-1	C10H10O2	`6-methoxy-1-indanone`
6-Methoxy-2-methylbenzothiazole	2941-72-2	C9H9NOS	`6-methoxy-2-methylbenzothiazole`
6-Methoxybenzothiazole	2942-13-4	C8H7NOS	`6-methoxybenzothiazole`
6-Methoxytetralin	1730-48-9	C11H14O	`6-methoxytetralin`
6-Methyl-2-heptanol	4730-22-7	C8H18O	`6-methyl-2-heptanol`
6-Methyl-2-heptyne	51065-64-6	C8H14	`6-methyl-2-heptyne`
6-Methylheptan-2-one	928-68-7	C8H16O	`6-methylheptan-2-one`
6-Methylheptan-3-ol	18720-66-6	C8H18O	`6-methylheptan-3-ol`
6-Methylpyridin-2-ol	3279-76-3	C6H7NO	`6-methylpyridin-2-ol`
6-Methylquinoline	91-62-3	C10H9N	`6-methylquinoline`
6-Methyltetralin	1680-51-9	C11H14	`6-methyltetralin`
6-o-phosphonohexopyranose	2071722-98-8	C6H13O9P	`6-o-phosphonohexopyranose`
6-Tetralinol	1125-78-6	C10H12O	`6-tetralinol`
7-(Trifluoromethyl)quinoline-4-thiol	64415-07-2	C10H6F3NS	`7-trifluoromethylquinoline-4-thiol`
7-Amino-4-(trifluoromethyl)coumarin	53518-15-3	C10H6F3NO2	`7-amino-4-trifluoromethylcoumarin`
7-aminodesacetoxycephalosporanic acid	22252-43-3	C8H10N2O3S	`7-aminodesacetoxycephalosporanic-acid`
7-Bromo-5-chloroquinolin-8-ol	7640-33-7	C9H5BrClNO	`7-bromo-5-chloroquinolin-8-ol`
7-Chloro-2-methylquinoline	4965-33-7	C10H8ClN	`7-chloro-2-methylquinoline`
7-Fluoro-2-methylquinoline	1128-74-1	C10H8FN	`7-fluoro-2-methylquinoline`
7-Fluoroisatin	317-20-4	C8H4FNO2	`7-fluoroisatin`
7-Methylquinoline	612-60-2	C10H9N	`7-methylquinoline`
7-Oxabicyclo[2.2.1]heptane	279-49-2	C6H10O	`7-oxabicyclo221heptane`
8-Amino-2-naphthol	118-46-7	C10H9NO	`8-amino-2-naphthol`
8-Bromo-1-octene	2695-48-9	C8H15Br	`8-bromo-1-octene`
8-hydroxy-1-naphthol	569-42-6	C10H8O2	`8-hydroxy-1-naphthol`
8-Methyl-8-azabicyclo[3.2.1]octan-3-ol	7432-10-2	C8H15NO	`8-methyl-8-azabicyclo321octan-3-ol`
8-Methylquinoline	611-32-5	C10H9N	`8-methylquinoline`
9-.beta.-D-Ribofuranosylxanthine	6253-54-9	C10H12N4O6	`9-beta-d-ribofuranosylxanthine`
Abbott 31699	23567-67-1	C7H6N4OS	`abbott-31699`
Accelerine	138-89-6	C8H10N2O	`accelerine`
acetaldehyde	75-07-0	C2H4O	`acetaldehyde`
Acetaldehyde di-isobutylacetal	5669-09-0	C10H22O2	`acetaldehyde-di-isobutylacetal`
acetamide	60-35-5	C2H5NO	`acetamide`
acetaminophen	103-90-2	C8H9NO2	`acetaminophen`
acetazolamide	59-66-5	C4H6N4O3S2	`acetazolamide`

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).