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Methyl 2-amino-5-[(E)-2-cyano-1-methylethenyl]-4-methyl-3-thiophenecarboxylate
SpectraBase Compound ID 4bB6mK7ZfXa
InChI InChI=1S/C11H12N2O2S/c1-6(4-5-12)9-7(2)8(10(13)16-9)11(14)15-3/h4H,13H2,1-3H3/b6-4+
InChIKey GBRLJASBMJWAOD-GQCTYLIASA-N
Mol Weight 236.29 g/mol
Molecular Formula C11H12N2O2S
Exact Mass 236.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5rwyouNSh33
Name Methyl 2-amino-5-[(E)-2-cyano-1-methylethenyl]-4-methyl-3-thiophenecarboxylate
CAS Registry Number 4815-42-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N2O2S
InChI InChI=1S/C11H12N2O2S/c1-6(4-5-12)9-7(2)8(10(13)16-9)11(14)15-3/h4H,13H2,1-3H3/b6-4+
InChIKey GBRLJASBMJWAOD-GQCTYLIASA-N
Molecular Weight 236.289 g/mol
SMILES Nc1c(c(c(\C(=C\C#N)C)s1)C)C(=O)OC
SPLASH splash10-0f79-7970000000-15cd5797eebde26010a7
Source of Spectrum AD-0-2532-0
Synonyms 2-Amino-5-(2-cyano-1-methyl-vinyl)-4-methyl-thiophene-3-carboxylic acid methyl ester 2-Amino-5-[(E)-1-cyanoprop-1-en-2-yl]-4-methyl-3-thiophenecarboxylic acid methyl ester 2-Amino-5-[(E)-2-cyano-1-methyl-vinyl]-4-methyl-thiophene-3-carboxylic acid methyl ester Methyl 2-amino-5-[(E)-1-cyanoprop-1-en-2-yl]-4-methylthiophene-3-carboxylate Methyl 2-amino-5-[(E)-2-cyano-1-methyl-vinyl]-4-methyl-thiophene-3-carboxylate Methyl 2-azanyl-5-[(E)-1-cyanoprop-1-en-2-yl]-4-methyl-thiophene-3-carboxylate Thiophene-3-carboxylic acid, 2-amino-5-(2-cyano-1-methylethenyl)-4-methyl-, methyl ester
Wiley ID 1432212