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 81–160 of 539 · formula C1–C4 · page 2/7

Name	CAS	Formula	Slug
2-chloroethanol	107-07-3	C2H5ClO	`2-chloroethanol`
2-Chloroethyl chloroformate	627-11-2	C3H4Cl2O2	`2-chloroethyl-chloroformate`
2-Chloroethyl methyl sulfide	542-81-4	C3H7ClS	`2-chloroethyl-methyl-sulfide`
2-Chloropropane	75-29-6	C3H7Cl	`2-chloropropane`
2-Chloropropionamide	27816-36-0	C3H6ClNO	`2-chloropropionamide`
2-Chloropyrazine	14508-49-7	C4H3ClN2	`2-chloropyrazine`
2-Chloropyrimidine	1722-12-9	C4H3ClN2	`2-chloropyrimidine`
2-Chlorothiophene	96-43-5	C4H3ClS	`2-chlorothiophene`
2-Cyanoacetamide	107-91-5	C3H4N2O	`2-cyanoacetamide`
2-Cyanoethyltrichlorosilane	1071-22-3	C3H4Cl3NSi	`2-cyanoethyltrichlorosilane`
2-Ethoxyethanol	110-80-5	C4H10O2	`2-ethoxyethanol`
2-Ethoxyethylamine	110-76-9	C4H11NO	`2-ethoxyethylamine`
2-Ethyloxirane	106-88-7	C4H8O	`2-ethyloxirane`
2-Fluoroethyl bromide	762-49-2	C2H4BrF	`2-fluoroethyl-bromide`
2-furanol	22125-63-9	C4H4O2	`2-furanol`
2-Hydroxybutyric acid	600-15-7	C4H8O3	`2-hydroxybutyric-acid`
2-Hydroxyethyl acetate	542-59-6	C4H8O3	`2-hydroxyethyl-acetate`
2-Hydroxyethyl disulfide	1892-29-1	C4H10O2S2	`2-hydroxyethyl-disulfide`
2-Hydroxyisobutyric Acid	594-61-6	C4H8O3	`2-hydroxyisobutyric-acid`
2-Imidazolidone	120-93-4	C3H6N2O	`2-imidazolidone`
2-Iodoacetamide	144-48-9	C2H4INO	`2-iodoacetamide`
2-Iodobutane	513-48-4	C4H9I	`2-iodobutane`
2-Iodopropane	75-30-9	C3H7I	`2-iodopropane`
2-Mercaptopropionic acid	79-42-5	C3H6O2S	`2-mercaptopropionic-acid`
2-Methoxyethanol	109-86-4	C3H8O2	`2-methoxyethanol`
2-Methoxyethyl chloroformate	628-12-6	C4H7ClO3	`2-methoxyethyl-chloroformate`
2-Methoxyethylamine	109-85-3	C3H9NO	`2-methoxyethylamine`
2-Methoxypropane	598-53-8	C4H10O	`2-methoxypropane`
2-Methyl-3-thiosemicarbazide	6938-68-7	C2H7N3S	`2-methyl-3-thiosemicarbazide`
2-Methylimidazole	693-98-1	C4H6N2	`2-methylimidazole`
2-oxobutanoic acid	600-18-0	C4H6O3	`2-oxobutanoic-acid`
3-Amino-1H-pyrazole-4-carboxamide	5334-31-6	C4H6N4O	`3-amino-1h-pyrazole-4-carboxamide`
3-amino-2-fluoropropanoic acid	3821-81-6	C3H6FNO2	`3-amino-2-fluoropropanoic-acid`
3-Amino-5-methylpyrazole	31230-17-8	C4H7N3	`3-amino-5-methylpyrazole`
3-Aminoisobutyric acid	144-90-1	C4H9NO2	`3-aminoisobutyric-acid`
3-Aminopropan-1-ol	156-87-6	C3H9NO	`3-aminopropan-1-ol`
3-aminopropionitrile	151-18-8	C3H6N2	`3-aminopropionitrile`
3-Bromopropionic acid	590-92-1	C3H5BrO2	`3-bromopropionic-acid`
3-Bromothiophene	872-31-1	C4H3BrS	`3-bromothiophene`
3-Buten-1-ol	627-27-0	C4H8O	`3-buten-1-ol`
3-Buten-2-Ol	598-32-3	C4H8O	`3-buten-2-ol`
3-Butyn-1-Ol	927-74-2	C4H6O	`3-butyn-1-ol`
3-Butyn-2-ol	2028-63-9	C4H6O	`3-butyn-2-ol`
3-Chloro-1-Propanol	627-30-5	C3H7ClO	`3-chloro-1-propanol`
3-Chloro-2-methylpropene	563-47-3	C4H7Cl	`3-chloro-2-methylpropene`
3-Chloro-L-alanine	2731-73-9	C3H6ClNO2	`3-chloro-l-alanine`
3-Chloropropionamide	5875-24-1	C3H6ClNO	`3-chloropropionamide`
3-Chloropropionitrile	542-76-7	C3H4ClN	`3-chloropropionitrile`
3-Chloropropylmethyldichlorosilane	7787-93-1	C4H9Cl3Si	`3-chloropropylmethyldichlorosilane`
3-Chlorothiophene	17249-80-8	C4H3ClS	`3-chlorothiophene`
3-Glycerophosphate	57-03-4	C3H9O6P	`3-glycerophosphate`
3-hydroxybutyric acid	300-85-6	C4H8O3	`3-hydroxybutyric-acid`
3-Hydroxypropionic acid	503-66-2	C3H6O3	`3-hydroxypropionic-acid`
3-Iodopropionic Acid	141-76-4	C3H5IO2	`3-iodopropionic-acid`
3-Mercaptoisobutyric acid	26473-47-2	C4H8O2S	`3-mercaptoisobutyric-acid`
3-mercaptopropanol	19721-22-3	C3H8OS	`3-mercaptopropanol`
3-Methoxypropionitrile	110-67-8	C4H7NO	`3-methoxypropionitrile`
3-Methoxypropylamine	5332-73-0	C4H11NO	`3-methoxypropylamine`
3-Methyl-3-pyrazolin-5-one	4344-87-0	C4H6N2O	`3-methyl-3-pyrazolin-5-one`
3-Methylpyrazole	1453-58-3	C4H6N2	`3-methylpyrazole`
3-Methylrhodanine	4807-55-0	C4H5NOS2	`3-methylrhodanine`
3-Oxolene	1708-29-8	C4H6O	`3-oxolene`
3-phosphoglycerate	820-11-1	C3H7O7P	`3-phosphoglycerate`
3-Pyrroline	109-96-6	C4H7N	`3-pyrroline`
3-Sulfolene	28452-93-9	C4H6O2S	`3-sulfolene`
3-Ureidopropionic acid	462-88-4	C4H8N2O3	`3-ureidopropionic-acid`
4-Amino-1H-imidazole-5-carboxamide	360-97-4	C4H6N4O	`4-amino-1h-imidazole-5-carboxamide`
4-Amino-3-hydroxybutanoic acid	924-49-2	C4H9NO3	`4-amino-3-hydroxybutanoic-acid`
4-Bromo-1-Butene	5162-44-7	C4H7Br	`4-bromo-1-butene`
4-Bromobutyric acid	2623-87-2	C4H7BrO2	`4-bromobutyric-acid`
4-Chlorobutyryl chloride	4635-59-0	C4H6Cl2O	`4-chlorobutyryl-chloride`
4-hydroxypyrrolidine	40499-83-0	C4H9NO	`4-hydroxypyrrolidine`
4-Iodopyrazole	3469-69-0	C3H3IN2	`4-iodopyrazole`
4-Methylimidazole	822-36-6	C4H6N2	`4-methylimidazole`
4-Methylthiazole	693-95-8	C4H5NS	`4-methylthiazole`
5-Amino-1H-pyrazole	916420-28-5	C3H5N3	`5-amino-1h-pyrazole`
5-Aminoisoxazole	14678-05-8	C3H4N2O	`5-aminoisoxazole`
5-Azauracil	71-33-0	C3H3N3O2	`5-azauracil`
5-Bromo-2-chloropyrimidine	32779-36-5	C4H2BrClN2	`5-bromo-2-chloropyrimidine`
5-Bromo-2-pyrimidinone	38353-06-9	C4H3BrN2O	`5-bromo-2-pyrimidinone`

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).