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4-[[(Z)-3-methoxy-2-(4-methoxyphenyl)prop-1-enyl]sulfanylmethyl]benzenecarbonitrile
SpectraBase Compound ID HQF4Mpw5muU
InChI InChI=1S/C19H19NO2S/c1-21-12-18(17-7-9-19(22-2)10-8-17)14-23-13-16-5-3-15(11-20)4-6-16/h3-10,14H,12-13H2,1-2H3/b18-14+
InChIKey ZYFSVQLEULAYMH-NBVRZTHBSA-N
Mol Weight 325.43 g/mol
Molecular Formula C19H19NO2S
Exact Mass 325.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DwJKzvwznT6
Name 4-[[(Z)-3-methoxy-2-(4-methoxyphenyl)prop-1-enyl]sulfanylmethyl]benzenecarbonitrile
Alternate Name(s) 4-[[(Z)-3-methoxy-2-(4-methoxyphenyl)prop-1-enyl]sulfanylmethyl]benzonitrile 4-[[[(Z)-3-methoxy-2-(4-methoxyphenyl)prop-1-enyl]thio]methyl]benzonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C19H19NO2S
InChI InChI=1S/C19H19NO2S/c1-21-12-18(17-7-9-19(22-2)10-8-17)14-23-13-16-5-3-15(11-20)4-6-16/h3-10,14H,12-13H2,1-2H3/b18-14+
InChIKey ZYFSVQLEULAYMH-NBVRZTHBSA-N
Molecular Weight 325.426 g/mol
SMILES c1(\C(=C\SCc2ccc(C#N)cc2)COC)ccc(cc1)OC
SPLASH splash10-00di-0901000000-0f540b4e039735b5a836
Source of Spectrum J-63-541-8
Wiley ID 1324023