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3-Cyano-1-(p-toluenesulfonyl)-4-(3,4-methylenedioxyphenyl)-1,3-butadiene
SpectraBase Compound ID 15kyXvJVQOh
InChI InChI=1S/C19H15NO4S/c1-14-2-5-17(6-3-14)25(21,22)9-8-16(12-20)10-15-4-7-18-19(11-15)24-13-23-18/h2-11H,13H2,1H3/b9-8+,16-10-
InChIKey VBVSSAOPTIYDKX-GMCRPGLXSA-N
Mol Weight 353.39 g/mol
Molecular Formula C19H15NO4S
Exact Mass 353.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HLVX29MUM6
Name 3-Cyano-1-(p-toluenesulfonyl)-4-(3,4-methylenedioxyphenyl)-1,3-butadiene
Comments Less than 3 mono-isotopic peaks
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Formula C19H15NO4S
InChI InChI=1S/C19H15NO4S/c1-14-2-5-17(6-3-14)25(21,22)9-8-16(12-20)10-15-4-7-18-19(11-15)24-13-23-18/h2-11H,13H2,1H3/b9-8+,16-10-
InChIKey VBVSSAOPTIYDKX-GMCRPGLXSA-N
Molecular Weight 353.392 g/mol
SMILES c1(\C=C\(\C=C\S(=O)(=O)c2ccc(cc2)C)C#N)cc2c(cc1)OCO2
SPLASH splash10-0002-0903000000-49ed3490790e98f38481
Source of Spectrum SO-0-965-2
Synonyms (2Z,3E)-2-(1,3-benzodioxol-5-ylmethylene)-4-[(4-methylphenyl)sulfonyl]-3-butenenitrile
Wiley ID 1538756