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4-(p-anisylthio)-2-phenyl-benzoic acid methyl ester
SpectraBase Compound ID GBYWKv8ktKt
InChI InChI=1S/C22H20O3S/c1-24-18-10-8-16(9-11-18)15-26-19-12-13-20(22(23)25-2)21(14-19)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3
InChIKey NCMWZXGFBOVUIZ-UHFFFAOYSA-N
Mol Weight 364.46 g/mol
Molecular Formula C22H20O3S
Exact Mass 364.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gmqlomfyj0X
Name 4-(p-anisylthio)-2-phenyl-benzoic acid methyl ester
Alternate Name(s) 4-[(4-methoxyphenyl)methylthio]-2-phenylbenzoic acid methyl ester methyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C22H20O3S
InChI InChI=1S/C22H20O3S/c1-24-18-10-8-16(9-11-18)15-26-19-12-13-20(22(23)25-2)21(14-19)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3
InChIKey NCMWZXGFBOVUIZ-UHFFFAOYSA-N
Molecular Weight 364.459 g/mol
SMILES c1(c(cc(SCc2ccc(cc2)OC)cc1)-c1ccccc1)C(=O)OC
SPLASH splash10-00di-0901000000-f3088cd6748c62eeaf07
Source of Spectrum J-64-6187-17
Wiley ID 1530779