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(Z)-3-(benzenecarbonothioylamino)-2-cyano-3-phenyl-2-propenoic acid methyl ester
SpectraBase Compound ID HZ3DlXpY6UF
InChI InChI=1S/C18H14N2O2S/c1-22-18(21)15(12-19)16(13-8-4-2-5-9-13)20-17(23)14-10-6-3-7-11-14/h2-11H,1H3,(H,20,23)/b16-15-
InChIKey XOJFJAKQDSYFFG-NXVVXOECSA-N
Mol Weight 322.38 g/mol
Molecular Formula C18H14N2O2S
Exact Mass 322.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 13vpOdX56ch
Name (Z)-3-(benzenecarbonothioylamino)-2-cyano-3-phenyl-2-propenoic acid methyl ester
Alternate Name(s) (Z)-3-(benzenecarbonothioylamino)-2-cyano-3-phenyl-acrylic acid methyl ester Methyl (Z)-3-(benzenecarbonothioylamino)-2-cyano-3-phenyl-prop-2-enoate
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Formula C18H14N2O2S
InChI InChI=1S/C18H14N2O2S/c1-22-18(21)15(12-19)16(13-8-4-2-5-9-13)20-17(23)14-10-6-3-7-11-14/h2-11H,1H3,(H,20,23)/b16-15-
InChIKey XOJFJAKQDSYFFG-NXVVXOECSA-N
Molecular Weight 322.382 g/mol
SMILES N(\C(=C/(C(=O)OC)C#N)c1ccccc1)C(=S)c1ccccc1
SPLASH splash10-03di-2490000000-bad12ae3ac29bee185c8
Source of Spectrum H1-41-79-2
Wiley ID 757092