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4-[(Z)-2-(methylthio)-1-phenyl-vinyl]benzonitrile
SpectraBase Compound ID 3aRueQ62R4Y
InChI InChI=1S/C16H13NS/c1-18-12-16(14-5-3-2-4-6-14)15-9-7-13(11-17)8-10-15/h2-10,12H,1H3/b16-12-
InChIKey MABOPWXVLWJXCD-VBKFSLOCSA-N
Mol Weight 251.35 g/mol
Molecular Formula C16H13NS
Exact Mass 251.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J4Y2hNLhE83
Name 4-[(Z)-2-(methylthio)-1-phenyl-vinyl]benzonitrile
Alternate Name(s) 4-[(Z)-2-(methylthio)-1-phenylethenyl]benzonitrile 4-[(Z)-2-methylsulfanyl-1-phenyl-ethenyl]benzenecarbonitrile 4-[(Z)-2-methylsulfanyl-1-phenyl-vinyl]benzonitrile
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Formula C16H13NS
InChI InChI=1S/C16H13NS/c1-18-12-16(14-5-3-2-4-6-14)15-9-7-13(11-17)8-10-15/h2-10,12H,1H3/b16-12-
InChIKey MABOPWXVLWJXCD-VBKFSLOCSA-N
Molecular Weight 251.347 g/mol
SMILES c1(\C(=C/SC)c2ccccc2)ccc(C#N)cc1
SPLASH splash10-0udr-0090000000-0b144af66608459adce2
Source of Spectrum J-59-2822-4
Wiley ID 1254716