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2-[(2-Cyanophenyl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]benzenecarboxamide
SpectraBase Compound ID 7v7YaA7Vj8w
InChI InChI=1S/C31H28N2O3S/c1-35-27-17-16-23(19-28(27)36-2)25(18-22-10-4-3-5-11-22)21-33-31(34)26-13-7-9-15-30(26)37-29-14-8-6-12-24(29)20-32/h3-17,19,25H,18,21H2,1-2H3,(H,33,34)
InChIKey INNFOGYTWWKYBC-UHFFFAOYSA-N
Mol Weight 508.64 g/mol
Molecular Formula C31H28N2O3S
Exact Mass 508.182064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XKUJLC31QU
Name 2-[(2-Cyanophenyl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]benzenecarboxamide
Alternate Name(s) 2-[(2-cyanophenyl)thio]-N-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]benzamide 2-(2-cyanophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-3-phenylpropyl]benzamide 2-(2-cyanophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-3-phenyl-propyl]benzamide
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Formula C31H28N2O3S
InChI InChI=1S/C31H28N2O3S/c1-35-27-17-16-23(19-28(27)36-2)25(18-22-10-4-3-5-11-22)21-33-31(34)26-13-7-9-15-30(26)37-29-14-8-6-12-24(29)20-32/h3-17,19,25H,18,21H2,1-2H3,(H,33,34)
InChIKey INNFOGYTWWKYBC-UHFFFAOYSA-N
Molecular Weight 508.636 g/mol
SMILES N(CC(c1ccc(OC)c(c1)OC)Cc1ccccc1)C(=O)c1ccccc1Sc1ccccc1C#N
SPLASH splash10-0udr-4790000000-414ec9d0baffd92d6bdb
Source of Spectrum IY-1-4478-5
Wiley ID 1652768