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 401–480 of 539 · formula C1–C4 · page 6/7

Name	CAS	Formula	Slug
Methanol	67-56-1	CH4O	`methanol`
Methionol	505-10-2	C4H10OS	`methionol`
Methoxyacetone	5878-19-3	C4H8O2	`methoxyacetone`
Methoxyacetonitrile	1738-36-9	C3H5NO	`methoxyacetonitrile`
Methyl (methylsulfinyl)methyl sulfide	33577-16-1	C3H8OS2	`methyl-methylsulfinylmethyl-sulfide`
Methyl 2-bromoacrylate	4519-46-4	C4H5BrO2	`methyl-2-bromoacrylate`
Methyl 2-Hydroxy-2-methoxyacetate	19757-97-2	C4H8O4	`methyl-2-hydroxy-2-methoxyacetate`
Methyl 3-Mercaptopropionate	2935-90-2	C4H8O2S	`methyl-3-mercaptopropionate`
Methyl Acetate	79-20-9	C3H6O2	`methyl-acetate`
Methyl Acrylate	96-33-3	C4H6O2	`methyl-acrylate`
Methyl Carbamate	598-55-0	C2H5NO2	`methyl-carbamate`
Methyl Chloroacetate	96-34-4	C3H5ClO2	`methyl-chloroacetate`
Methyl chlorodifluoroacetate	1514-87-0	C3H3ClF2O2	`methyl-chlorodifluoroacetate`
Methyl Chloroformate	79-22-1	C2H3ClO2	`methyl-chloroformate`
Methyl Cyanoacetate	105-34-0	C4H5NO2	`methyl-cyanoacetate`
Methyl Dichloroacetate	116-54-1	C3H4Cl2O2	`methyl-dichloroacetate`
Methyl fluoroacetate	453-18-9	C3H5FO2	`methyl-fluoroacetate`
Methyl Isothiocyanate	556-61-6	C2H3NS	`methyl-isothiocyanate`
Methyl methoxyacetate	6290-49-9	C4H8O3	`methyl-methoxyacetate`
Methyl pentafluoropropionate	378-75-6	C4H3F5O2	`methyl-pentafluoropropionate`
Methyl Pyruvate	600-22-6	C4H6O3	`methyl-pyruvate`
Methyl Thioglycolate	2365-48-2	C3H6O2S	`methyl-thioglycolate`
Methyl Trifluoroacetate	431-47-0	C3H3F3O2	`methyl-trifluoroacetate`
Methyl trifluoromethyl ketone	421-50-1	C3H3F3O	`methyl-trifluoromethyl-ketone`
Methyl Vinyl Ketone	78-94-4	C4H6O	`methyl-vinyl-ketone`
Methyl vinyl sulfone	3680-02-2	C3H6O2S	`methyl-vinyl-sulfone`
Methylchloroform	71-55-6	C2H3Cl3	`methylchloroform`
Methylguanidineacetic acid	82016-55-5	C4H7N3O	`methylguanidineacetic-acid`
Methylmalonic acid	516-05-2	C4H6O4	`methylmalonic-acid`
Methylsulfonylacetonitrile	2274-42-2	C3H5NO2S	`methylsulfonylacetonitrile`
Methyltrimethoxysilane	1185-55-3	C4H12O3Si	`methyltrimethoxysilane`
Methylurea	598-50-5	C2H6N2O	`methylurea`
Monoglyme	110-71-4	C4H10O2	`monoglyme`
N-(hydroxymethyl)acrylamide	924-42-5	C4H7NO2	`n-hydroxymethylacrylamide`
N-Acetylglycinamide	2620-63-5	C4H8N2O2	`n-acetylglycinamide`
N-Acetylglycine	543-24-8	C4H7NO3	`n-acetylglycine`
N-Ethylglycine	627-01-0	C4H9NO2	`n-ethylglycine`
N-Hydroxyurethane	589-41-3	C3H7NO3	`n-hydroxyurethane`
N-Methoxy-N-methylacetamide	78191-00-1	C4H9NO2	`n-methoxy-n-methylacetamide`
N-Methyl-N'-acetylurea	623-59-6	C4H8N2O2	`n-methyl-n-acetylurea`
N-Methylethylenediamine	109-81-9	C3H10N2	`n-methylethylenediamine`
N-Methylformamide	123-39-7	C2H5NO	`n-methylformamide`
N-Methylpropionamide	1187-58-2	C4H9NO	`n-methylpropionamide`
N-Methylthiourea	598-52-7	C2H6N2S	`n-methylthiourea`
N-Nitrosodimethylamine	62-75-9	C2H6N2O	`n-nitrosodimethylamine`
N,N-Dimethylformamide	68-12-2	C3H7NO	`dimethylformamide`
naled	300-76-5	C4H7Br2Cl2O4P	`naled`
o-Dithiane	505-20-4	C4H8S2	`o-dithiane`
O-Methylhydroxylamine	67-62-9	CH5NO	`o-methylhydroxylamine`
O-phosphonothreonine	27530-80-9	C4H10NO6P	`o-phosphonothreonine`
O-Phosphorylethanolamine	1071-23-4	C2H8NO4P	`o-phosphorylethanolamine`
Oxetane	503-30-0	C3H6O	`oxetane`
p-Dithiane	505-29-3	C4H8S2	`p-dithiane`
Pentachloroethane	76-01-7	C2HCl5	`pentachloroethane`
Perfluoro-tert-butyl alcohol	2378-02-1	C4HF9O	`perfluoro-tert-butyl-alcohol`
Phosphonoacetic acid	4408-78-0	C2H5O5P	`phosphonoacetic-acid`
piperazine	110-85-0	C4H10N2	`piperazine`
Propanethioamide	631-58-3	C3H7NS	`propanethioamide`
Propargyl Alcohol	107-19-7	C3H4O	`propargyl-alcohol`
Propargyl Bromide	106-96-7	C3H3Br	`propargyl-bromide`
Propargyl chloride	624-65-7	C3H3Cl	`propargyl-chloride`
Propionaldehyde	123-38-6	C3H6O	`propionaldehyde`
propionic acid	79-09-4	C3H6O2	`propionic-acid`
Propionyl bromide	598-22-1	C3H5BrO	`propionyl-bromide`
Propyl chloroformate	109-61-5	C4H7ClO2	`propyl-chloroformate`
Propyl isocyanate	110-78-1	C4H7NO	`propyl-isocyanate`
Propyl methanesulfonate	1912-31-8	C4H10O3S	`propyl-methanesulfonate`
Propylamine	107-10-8	C3H9N	`propylamine`
Propylene Carbonate	108-32-7	C4H6O3	`propylene-carbonate`
Propylene dibromide	78-75-1	C3H6Br2	`propylene-dibromide`
Propylene dichloride	78-87-5	C3H6Cl2	`propylene-dichloride`
Propylene Glycol	57-55-6	C3H8O2	`propylene-glycol`
Propylene sulfide	1072-43-1	C3H6S	`propylene-sulfide`
Propylphosphonic dichloride	4708-04-7	C3H7Cl2OP	`propylphosphonic-dichloride`
putrescine	110-60-1	C4H12N2	`putrescine`
Pyrrole	109-97-7	C4H5N	`pyrrole`
Pyrrolidine	123-75-1	C4H9N	`pyrrolidine`
Pyruvic acid	127-17-3	C3H4O3	`pyruvic-acid`
RCRA waste number U208	630-20-6	C2H2Cl4	`rcra-waste-number-u208`
S-Ethyl trifluorothioacetate	383-64-2	C4H5F3OS	`s-ethyl-trifluorothioacetate`

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).