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Thiophene-2-carboxylic acid, 3-(2-tert-butylsulfonyl-2-cyanoethenylamino)-, methyl ester
SpectraBase Compound ID 2Gh61GWqEzz
InChI InChI=1S/C13H16N2O4S2/c1-13(2,3)21(17,18)9(7-14)8-15-10-5-6-20-11(10)12(16)19-4/h5-6,8,15H,1-4H3/b9-8+
InChIKey YMXNGSCUHAJUSI-CMDGGOBGSA-N
Mol Weight 328.4 g/mol
Molecular Formula C13H16N2O4S2
Exact Mass 328.055149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IhIKU5BkYkP
Name Thiophene-2-carboxylic acid, 3-(2-tert-butylsulfonyl-2-cyanoethenylamino)-, methyl ester
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Formula C13H16N2O4S2
InChI InChI=1S/C13H16N2O4S2/c1-13(2,3)21(17,18)9(7-14)8-15-10-5-6-20-11(10)12(16)19-4/h5-6,8,15H,1-4H3/b9-8+
InChIKey YMXNGSCUHAJUSI-CMDGGOBGSA-N
Molecular Weight 328.401 g/mol
SMILES N(c1c(C(=O)OC)scc1)\C=C/(S(C(C)(C)C)(=O)=O)C#N
SPLASH splash10-056r-6910000000-6edbf92feb0d47eb572b
Source of Spectrum AD-0-2532-0
Synonyms 3-[[(E)-2-tert-butylsulfonyl-2-cyano-vinyl]amino]thiophene-2-carboxylic acid methyl ester 3-[[(E)-2-tert-butylsulfonyl-2-cyanoethenyl]amino]-2-thiophenecarboxylic acid methyl ester Methyl 3-[[(E)-2-tert-butylsulfonyl-2-cyano-ethenyl]amino]thiophene-2-carboxylate Methyl 3-[[(E)-2-tert-butylsulfonyl-2-cyano-vinyl]amino]thiophene-2-carboxylate
Wiley ID 1427558