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5-(2-Chloro-acetylamino)-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester
SpectraBase Compound ID 2oYHrOLqCCg
InChI InChI=1S/C11H11ClN2O3S/c1-3-17-11(16)9-6(2)7(5-13)10(18-9)14-8(15)4-12/h3-4H2,1-2H3,(H,14,15)
InChIKey AOLJKGGEFGBGRY-UHFFFAOYSA-N
Mol Weight 286.73 g/mol
Molecular Formula C11H11ClN2O3S
Exact Mass 286.017891 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJLKnJYk3Gt
Name 5-(2-Chloro-acetylamino)-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester
Alternate Name(s) 5-[(2-chloro-1-oxoethyl)amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester Ethyl 5-(2-chloranylethanoylamino)-4-cyano-3-methyl-thiophene-2-carboxylate Ethyl 5-[(2-chloroacetyl)amino]-4-cyano-3-methyl-thiophene-2-carboxylate Ethyl 5-[(2-chloroacetyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
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Formula C11H11ClN2O3S
InChI InChI=1S/C11H11ClN2O3S/c1-3-17-11(16)9-6(2)7(5-13)10(18-9)14-8(15)4-12/h3-4H2,1-2H3,(H,14,15)
InChIKey AOLJKGGEFGBGRY-UHFFFAOYSA-N
Molecular Weight 286.733 g/mol
SMILES N(C(=O)CCl)c1c(c(c(s1)C(OCC)=O)C)C#N
SPLASH splash10-029i-5940000000-1560f43ccb74d0a5059c
Wiley ID 1466070