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Methyl (E)-2[[(4-chlorobenzoyl)methyl]-2-(4-cyanophenyl)]vinyl sulfide
SpectraBase Compound ID ELaFttjanD
InChI InChI=1S/C18H16ClNOS/c1-22-13-17(16-6-2-14(10-20)3-7-16)12-21-11-15-4-8-18(19)9-5-15/h2-9,13H,11-12H2,1H3/b17-13+
InChIKey VXLRZVQICHSMNK-GHRIWEEISA-N
Mol Weight 329.85 g/mol
Molecular Formula C18H16ClNOS
Exact Mass 329.064113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfSkJ9R9xos
Name Methyl (E)-2[[(4-chlorobenzoyl)methyl]-2-(4-cyanophenyl)]vinyl sulfide
Alternate Name(s) Methyl (E)-2[[(4-chlorobenzyloxy)methyl]-2-(4-cyanophenyl)]vinyl sulfide
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Formula C18H16ClNOS
InChI InChI=1S/C18H16ClNOS/c1-22-13-17(16-6-2-14(10-20)3-7-16)12-21-11-15-4-8-18(19)9-5-15/h2-9,13H,11-12H2,1H3/b17-13+
InChIKey VXLRZVQICHSMNK-GHRIWEEISA-N
Molecular Weight 329.845 g/mol
SMILES c1(\C(=C\SC)COCc2ccc(cc2)Cl)ccc(C#N)cc1
SPLASH splash10-00or-0903000000-c35610080ea4586e6f77
Source of Spectrum J-63-541-9
Wiley ID 1327068