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Methyl 5-Cyano-2-thiophenecarboxylate
SpectraBase Compound ID 7sHNXNvZvJx
InChI InChI=1S/C7H5NO2S/c1-10-7(9)6-3-2-5(4-8)11-6/h2-3H,1H3
InChIKey KLGYHLXZILYUOL-UHFFFAOYSA-N
Mol Weight 167.18 g/mol
Molecular Formula C7H5NO2S
Exact Mass 167.0041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1lezAvHpU47
Name Methyl 5-Cyano-2-thiophenecarboxylate
Alternate Name(s) 5-cyano-2-thiophenecarboxylic acid methyl ester 5-cyanothiophene-2-carboxylic acid methyl ester methyl 5-cyanothiophene-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C7H5NO2S
InChI InChI=1S/C7H5NO2S/c1-10-7(9)6-3-2-5(4-8)11-6/h2-3H,1H3
InChIKey KLGYHLXZILYUOL-UHFFFAOYSA-N
Molecular Weight 167.182 g/mol
SMILES c1(sc(C#N)cc1)C(=O)OC
SPLASH splash10-000i-0900000000-83ab93e9e57bb72cc82b
Source of Spectrum Y-28-25-28
Wiley ID 1163408