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4-[[(Z)-3-methoxy-2-phenyl-prop-1-enyl]sulfanylmethyl]benzenecarbonitrile
SpectraBase Compound ID qE4wuFgRul
InChI InChI=1S/C18H17NOS/c1-20-12-18(17-5-3-2-4-6-17)14-21-13-16-9-7-15(11-19)8-10-16/h2-10,14H,12-13H2,1H3/b18-14+
InChIKey UYOGOUSDDJCABT-NBVRZTHBSA-N
Mol Weight 295.4 g/mol
Molecular Formula C18H17NOS
Exact Mass 295.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZHGahdGPlx
Name 4-[[(Z)-3-methoxy-2-phenyl-prop-1-enyl]sulfanylmethyl]benzenecarbonitrile
Alternate Name(s) 4-[[(Z)-3-methoxy-2-phenyl-prop-1-enyl]sulfanylmethyl]benzonitrile 4-[[[(Z)-3-methoxy-2-phenyl-prop-1-enyl]thio]methyl]benzonitrile 4-[[[(Z)-3-methoxy-2-phenylprop-1-enyl]thio]methyl]benzonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C18H17NOS
InChI InChI=1S/C18H17NOS/c1-20-12-18(17-5-3-2-4-6-17)14-21-13-16-9-7-15(11-19)8-10-16/h2-10,14H,12-13H2,1H3/b18-14+
InChIKey UYOGOUSDDJCABT-NBVRZTHBSA-N
Molecular Weight 295.400 g/mol
SMILES C(S\C=C\(c1ccccc1)COC)c1ccc(C#N)cc1
SPLASH splash10-0006-9010000000-8c36c87ccc7b92212b8b
Source of Spectrum J-63-541-8
Wiley ID 1298287