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 1921–2000 of 2,593 · all compounds · page 25/33

Name	CAS	Formula	Slug
m-Tolyl isothiocyanate	621-30-7	C8H7NS	`m-tolyl-isothiocyanate`
m-Tolylurea	63-99-0	C8H10N2O	`m-tolylurea`
m-Xylene	108-38-3	C8H10	`m-xylene`
m-Xylene-4-sulfonic acid	88-61-9	C8H10O3S	`m-xylene-4-sulfonic-acid`
m-Xylidine	95-68-1	C8H11N	`m-xylidine`
m-Xyloquinone	527-61-7	C8H8O2	`m-xyloquinone`
m-Xylylene dichloride	626-16-4	C8H8Cl2	`m-xylylene-dichloride`
malathion	121-75-5	C10H19O6PS2	`malathion`
Maleimide	541-59-3	C4H3NO2	`maleimide`
malic acid	6915-15-7	C4H6O5	`malic-acid`
malonic acid	141-82-2	C3H4O4	`malonic-acid`
Malonic acid dihydrazide	3815-86-9	C3H8N4O2	`malonic-acid-dihydrazide`
Malononitrile	109-77-3	C3H2N2	`malononitrile`
Maltol	118-71-8	C6H6O3	`maltol`
Mandelic Acid	90-64-2	C8H8O3	`mandelic-acid`
mango furanone	14400-67-0	C6H8O2	`mango-furanone`
Mci-186	89-25-8	C10H10N2O	`mci-186`
Mebutamate	64-55-1	C10H20N2O4	`mebutamate`
Meglutol	503-49-1	C6H10O5	`meglutol`
Meldrum's acid	2033-24-1	C6H8O4	`meldrums-acid`
Menthol	89-78-1	C10H20O	`menthol`
Menthol	1490-04-6	C10H20O	`menthol`
Menthone	89-80-5	C10H18O	`menthone`
mercaptoacetic acid	68-11-1	C2H4O2S	`mercaptoacetic-acid`
Mercaptosuccinic acid	70-49-5	C4H6O4S	`mercaptosuccinic-acid`
Mercaptotriazole	3179-31-5	C2H3N3S	`mercaptotriazole`
Mesidine	88-05-1	C9H13N	`mesidine`
Mesitol	527-60-6	C9H12O	`mesitol`
Mesitonitrile	2571-52-0	C10H11N	`mesitonitrile`
Mesityl Chloride	1667-04-5	C9H11Cl	`mesityl-chloride`
Mesityl Fluoride	392-69-8	C9H11F	`mesityl-fluoride`
Mesitylene	108-67-8	C9H12	`mesitylene`
Mesitylene-2-sulphonohydrazide	16182-15-3	C9H14N2O2S	`mesitylene-2-sulphonohydrazide`
Metepa	57-39-6	C9H18N3OP	`metepa`
Methabenzthiazuron	18691-97-9	C10H11N3OS	`methabenzthiazuron`
Methacrolein	78-85-3	C4H6O	`methacrolein`
Methacrylamide	79-39-0	C4H7NO	`methacrylamide`
Methacrylic Acid	79-41-4	C4H6O2	`methacrylic-acid`
Methacrylonitrile	126-98-7	C4H5N	`methacrylonitrile`
Methacryloyl Chloride	920-46-7	C4H5ClO	`methacryloyl-chloride`
Methallyl Alcohol	513-42-8	C4H8O	`methallyl-alcohol`
Methanol	67-56-1	CH4O	`methanol`
Methionol	505-10-2	C4H10OS	`methionol`
Methoxyacetone	5878-19-3	C4H8O2	`methoxyacetone`
Methoxyacetonitrile	1738-36-9	C3H5NO	`methoxyacetonitrile`
Methoxymethyl salicylate	575-82-6	C9H10O4	`methoxymethyl-salicylate`
Methyl (2-chlorophenyl)acetate	57486-68-7	C9H9ClO2	`methyl-2-chlorophenylacetate`
Methyl (dimethylamino)acetate	7148-06-3	C5H11NO2	`methyl-dimethylaminoacetate`
Methyl (methylsulfinyl)methyl sulfide	33577-16-1	C3H8OS2	`methyl-methylsulfinylmethyl-sulfide`
methyl 1H-indole-4-carboxylate	39830-66-5	C10H9NO2	`methyl-1h-indole-4-carboxylate`
Methyl 1H-pyrrole-2-carboxylate	1193-62-0	C6H7NO2	`methyl-1h-pyrrole-2-carboxylate`
Methyl 2-bromoacrylate	4519-46-4	C4H5BrO2	`methyl-2-bromoacrylate`
Methyl 2-Bromobenzoate	610-94-6	C8H7BrO2	`methyl-2-bromobenzoate`
Methyl 2-bromobutyrate	3196-15-4	C5H9BrO2	`methyl-2-bromobutyrate`
Methyl 2-chloroacetoacetate	4755-81-1	C5H7ClO3	`methyl-2-chloroacetoacetate`
Methyl 2-ethoxybenzoate	3686-55-3	C10H12O3	`methyl-2-ethoxybenzoate`
Methyl 2-ethylhexanoate	816-19-3	C9H18O2	`methyl-2-ethylhexanoate`
Methyl 2-Hydroxy-2-methoxyacetate	19757-97-2	C4H8O4	`methyl-2-hydroxy-2-methoxyacetate`
methyl 2-hydroxybut-3-enoate	5837-73-0	C5H8O3	`methyl-2-hydroxybut-3-enoate`
Methyl 3-(dimethylamino)propanoate	3853-06-3	C6H13NO2	`methyl-3-dimethylaminopropanoate`
Methyl 3-(furfurylthio)propionate	94278-26-9	C9H12O3S	`methyl-3-furfurylthiopropionate`
Methyl 3-(methylthio)propionate	13532-18-8	C5H10O2S	`methyl-3-methylthiopropionate`
Methyl 3-acetoxyhexanoate	21188-60-3	C9H16O4	`methyl-3-acetoxyhexanoate`
Methyl 3-amino-4-methylbenzoate	18595-18-1	C9H11NO2	`methyl-3-amino-4-methylbenzoate`
Methyl 3-Bromobenzoate	618-89-3	C8H7BrO2	`methyl-3-bromobenzoate`
Methyl 3-cyanopropanoate	4107-62-4	C5H7NO2	`methyl-3-cyanopropanoate`
Methyl 3-hydroxybenzoate	19438-10-9	C8H8O3	`methyl-3-hydroxybenzoate`
Methyl 3-hydroxybutanoate	1487-49-6	C5H10O3	`methyl-3-hydroxybutanoate`
Methyl 3-Mercaptopropionate	2935-90-2	C4H8O2S	`methyl-3-mercaptopropionate`
Methyl 3-oxovalerate	30414-53-0	C6H10O3	`methyl-3-oxovalerate`
Methyl 4-aminobutanoate	3251-07-8	C5H11NO2	`methyl-4-aminobutanoate`
Methyl 4-bromobenzoate	619-42-1	C8H7BrO2	`methyl-4-bromobenzoate`
Methyl 4-bromobutyrate	4897-84-1	C5H9BrO2	`methyl-4-bromobutyrate`
methyl 4-ethynylbenzoate	3034-86-4	C10H8O2	`methyl-4-ethynylbenzoate`
Methyl 4-iodobenzoate	619-44-3	C8H7IO2	`methyl-4-iodobenzoate`
Methyl 4-methoxyacetoacetate	41051-15-4	C6H10O4	`methyl-4-methoxyacetoacetate`
Methyl 4-methoxybutanoate	29006-01-7	C6H12O3	`methyl-4-methoxybutanoate`
Methyl 4-methylsalicylate	4670-56-8	C9H10O3	`methyl-4-methylsalicylate`
Methyl 5-bromovalerate	5454-83-1	C6H11BrO2	`methyl-5-bromovalerate`
Methyl Acetate	79-20-9	C3H6O2	`methyl-acetate`

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).