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(2E,5E)-2-(N-methylanilino)-4-(phenylthio)hepta-2,5-dienenitrile
SpectraBase Compound ID BnGlnEczxzS
InChI InChI=1S/C20H20N2S/c1-3-10-20(23-19-13-8-5-9-14-19)15-18(16-21)22(2)17-11-6-4-7-12-17/h3-15,20H,1-2H3/b10-3+,18-15+
InChIKey GABNFCQJMLTBMS-DFMGRHGTSA-N
Mol Weight 320.45 g/mol
Molecular Formula C20H20N2S
Exact Mass 320.13472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7TGh4AvkCS
Name (2E,5E)-2-(N-methylanilino)-4-(phenylthio)hepta-2,5-dienenitrile
Comments Less than 3 mono-isotopic peaks
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Formula C20H20N2S
InChI InChI=1S/C20H20N2S/c1-3-10-20(23-19-13-8-5-9-14-19)15-18(16-21)22(2)17-11-6-4-7-12-17/h3-15,20H,1-2H3/b10-3+,18-15+
InChIKey GABNFCQJMLTBMS-DFMGRHGTSA-N
Molecular Weight 320.454 g/mol
SMILES C(\C=C/(N(c1ccccc1)C)C#N)(Sc1ccccc1)\C=C\C
SPLASH splash10-03di-0090000000-d297c5fe63a1648687d6
Source of Spectrum KC-1992-3091-23
Synonyms (2E,5E)-2-(N-methylanilino)-4-phenylsulfanyl-hepta-2,5-dienenitrile (2E,5E)-2-[methyl(phenyl)amino]-4-phenylsulfanyl-hepta-2,5-dienenitrile
Wiley ID 777415