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 1–80 of 539 · formula C1–C4 · page 1/7

Name	CAS	Formula	Slug
(+-)-Aspartic acid	617-45-8	C4H7NO4	`aspartic-acid`
(2-Aminoethyl)phosphonic acid	2041-14-7	C2H8NO3P	`2-aminoethylphosphonic-acid`
(2-Chloroethyl)dimethylamine	107-99-3	C4H10ClN	`2-chloroethyldimethylamine`
(2-Hydroxyethyl)urea	2078-71-9	C3H8N2O2	`2-hydroxyethylurea`
(2-methoxyethyl)(methyl)amine	38256-93-8	C4H11NO	`2-methoxyethylmethylamine`
(2R)-2-hydroxypropanamide	598-81-2	C3H7NO2	`2r-2-hydroxypropanamide`
(3-Aminopropyl)methylamine	6291-84-5	C4H12N2	`3-aminopropylmethylamine`
(Bromomethyl)chlorodimethylsilane	16532-02-8	C3H8BrClSi	`bromomethylchlorodimethylsilane`
(Chloromethyl)cyclopropane	5911-08-0	C4H7Cl	`chloromethylcyclopropane`
(Iodomethyl)trimethylsilane	4206-67-1	C4H11ISi	`iodomethyltrimethylsilane`
(Trimethylsilyl)methanol	3219-63-4	C4H12OSi	`trimethylsilylmethanol`
1-(Acetyl)thiosemicarbazide	2302-88-7	C3H7N3OS	`1-acetylthiosemicarbazide`
1-(Chloromethoxy)-2-methoxyethane	3970-21-6	C4H9ClO2	`1-chloromethoxy-2-methoxyethane`
1-aminobutan-2-ol	13552-21-1	C4H11NO	`1-aminobutan-2-ol`
1-Aminoethylphosphonic acid	6323-97-3	C2H8NO3P	`1-aminoethylphosphonic-acid`
1-Aminopropan-2-ol	78-96-6	C3H9NO	`1-aminopropan-2-ol`
1-Bromo-2-Chloroethane	107-04-0	C2H4BrCl	`1-bromo-2-chloroethane`
1-Bromo-2-methoxyethane	6482-24-2	C3H7BrO	`1-bromo-2-methoxyethane`
1-Bromo-2-methylpropane	78-77-3	C4H9Br	`1-bromo-2-methylpropane`
1-Bromo-3-chloro-2-methylpropane	6974-77-2	C4H8BrCl	`1-bromo-3-chloro-2-methylpropane`
1-Bromo-3-Chloropropane	109-70-6	C3H6BrCl	`1-bromo-3-chloropropane`
1-Bromobutane	109-65-9	C4H9Br	`1-bromobutane`
1-Bromopropane	106-94-5	C3H7Br	`1-bromopropane`
1-Butanol	71-36-3	C4H10O	`n-butanol`
1-Chloro-2-fluoroethane	762-50-5	C2H4ClF	`1-chloro-2-fluoroethane`
1-Chloro-2-iodoethane	624-70-4	C2H4ClI	`1-chloro-2-iodoethane`
1-Chloro-2-methyl-2-propanol	558-42-9	C4H9ClO	`1-chloro-2-methyl-2-propanol`
1-Chloro-2-methylpropane	513-36-0	C4H9Cl	`1-chloro-2-methylpropane`
1-Chloro-2-methylpropene	513-37-1	C4H7Cl	`1-chloro-2-methylpropene`
1-Chloro-2-propanol	127-00-4	C3H7ClO	`1-chloro-2-propanol`
1-Chloro-3-iodopropane	6940-76-7	C3H6ClI	`1-chloro-3-iodopropane`
1-Chloro-3-methoxypropan-2-ol	4151-97-7	C4H9ClO2	`1-chloro-3-methoxypropan-2-ol`
1-Chloroethyl chloroformate	50893-53-3	C3H4Cl2O2	`1-chloroethyl-chloroformate`
1-Chloropropane	540-54-5	C3H7Cl	`1-chloropropane`
1-iodoprop-1-yne	624-66-8	C3H3I	`1-iodoprop-1-yne`
1-Iodopropane	107-08-4	C3H7I	`1-iodopropane`
1-Methoxy-2-propanol	107-98-2	C4H10O2	`1-methoxy-2-propanol`
1-Methoxypropane	557-17-5	C4H10O	`1-methoxypropane`
1-Methyl-1H-pyrazole	930-36-9	C4H6N2	`1-methyl-1h-pyrazole`
1-Methylhydantoin	616-04-6	C4H6N2O2	`1-methylhydantoin`
1-methylimidazole	616-47-7	C4H6N2	`1-methylimidazole`
1-O-Methylglycerol	623-39-2	C4H10O3	`1-o-methylglycerol`
1-Propanol	71-23-8	C3H8O	`n-propanol`
1,2-bis(trichlorosilyl)ethane	2504-64-5	C2H4Cl6Si2	`1-2-bis-trichlorosilyl-ethane`
1,4-Dioxane	123-91-1	C4H8O2	`1-4-dioxane`
2-(2-aminoethoxy)ethanamine	2752-17-2	C4H12N2O	`2-2-aminoethoxyethanamine`
2-(2-Chloroethoxy)ethanol	628-89-7	C4H9ClO2	`2-2-chloroethoxyethanol`
2-(Bromomethyl)acrylic acid	72707-66-5	C4H5BrO2	`2-bromomethylacrylic-acid`
2-(Chloromethyl)-m-dioxane	2568-30-1	C4H7ClO2	`2-chloromethyl-m-dioxane`
2-(Dimethylamino)ethanol	108-01-0	C4H11NO	`2-dimethylaminoethanol`
2-(Methylamino)ethanol	109-83-1	C3H9NO	`2-methylaminoethanol`
2-(Methylthio)ethanol	5271-38-5	C3H8OS	`2-methylthioethanol`
2-(Trifluoromethyl)acrylic acid	381-98-6	C4H3F3O2	`2-trifluoromethylacrylic-acid`
2-(Vinyloxy)ethanol	764-48-7	C4H8O2	`2-vinyloxyethanol`
2-Amino-2-methyl-1-propanol	124-68-5	C4H11NO	`2-amino-2-methyl-1-propanol`
2-amino-3-hydroxybutanoic acid	80-68-2	C4H9NO3	`2-amino-3-hydroxybutanoic-acid`
2-amino-3-phosphonopropanoic acid	5652-28-8	C3H8NO5P	`2-amino-3-phosphonopropanoic-acid`
2-Amino-5-bromopyrimidine	7752-82-1	C4H4BrN3	`2-amino-5-bromopyrimidine`
2-Amino-5-methylthiadiazole	108-33-8	C3H5N3S	`2-amino-5-methylthiadiazole`
2-Aminobutyric acid	2835-81-6	C4H9NO2	`2-aminobutyric-acid`
2-Aminoethyl hydrogen sulfate	926-39-6	C2H7NO4S	`2-aminoethyl-hydrogen-sulfate`
2-Aminoisobutyric acid	62-57-7	C4H9NO2	`2-aminoisobutyric-acid`
2-Aminothiazole	96-50-4	C3H4N2S	`2-aminothiazole`
2-Bromo-2-methylpropane	507-19-7	C4H9Br	`2-bromo-2-methylpropane`
2-Bromo-2-methylpropanoic acid	2052-01-9	C4H7BrO2	`2-bromo-2-methylpropanoic-acid`
2-Bromo-2-methylpropionyl bromide	20769-85-1	C4H6Br2O	`2-bromo-2-methylpropionyl-bromide`
2-Bromoacetamide	683-57-8	C2H4BrNO	`2-bromoacetamide`
2-Bromoallyl bromide	513-31-5	C3H4Br2	`2-bromoallyl-bromide`
2-Bromobutane	78-76-2	C4H9Br	`2-bromobutane`
2-Bromoethyl ethyl ether	592-55-2	C4H9BrO	`2-bromoethyl-ethyl-ether`
2-Bromopropene	557-93-7	C3H5Br	`2-bromopropene`
2-Bromopropionic Acid	598-72-1	C3H5BrO2	`2-bromopropionic-acid`
2-Bromopropionyl bromide	563-76-8	C3H4Br2O	`2-bromopropionyl-bromide`
2-Bromopropionyl chloride	7148-74-5	C3H4BrClO	`2-bromopropionyl-chloride`
2-Butanol	78-92-2	C4H10O	`2-butanol`
2-Butanone	78-93-3	C4H8O	`2-butanone`
2-Butyn-1-Ol	764-01-2	C4H6O	`2-butyn-1-ol`
2-Chloro-2-methylpropane	507-20-0	C4H9Cl	`2-chloro-2-methylpropane`
2-Chloroacrylonitrile	920-37-6	C3H2ClN	`2-chloroacrylonitrile`
2-Chlorobutane	78-86-4	C4H9Cl	`2-chlorobutane`

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).