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3-phenyl-5-(phenylmethylthio)benzene-1,2-dicarboxylic acid dimethyl ester
SpectraBase Compound ID Jl5fNwHDyxY
InChI InChI=1S/C23H20O4S/c1-26-22(24)20-14-18(28-15-16-9-5-3-6-10-16)13-19(21(20)23(25)27-2)17-11-7-4-8-12-17/h3-14H,15H2,1-2H3
InChIKey ICUWNZPUVQNXBY-UHFFFAOYSA-N
Mol Weight 392.47 g/mol
Molecular Formula C23H20O4S
Exact Mass 392.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7IlBlFIsj2c
Name 3-phenyl-5-(phenylmethylthio)benzene-1,2-dicarboxylic acid dimethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C23H20O4S
InChI InChI=1S/C23H20O4S/c1-26-22(24)20-14-18(28-15-16-9-5-3-6-10-16)13-19(21(20)23(25)27-2)17-11-7-4-8-12-17/h3-14H,15H2,1-2H3
InChIKey ICUWNZPUVQNXBY-UHFFFAOYSA-N
Molecular Weight 392.469 g/mol
SMILES c1(c(c(cc(c1)SCc1ccccc1)C(=O)OC)C(=O)OC)-c1ccccc1
SPLASH splash10-0006-0009000000-4a4222dcb51ef462a0bf
Source of Spectrum J-64-6186-12
Synonyms 5-(benzylthio)-3-phenyl-benzene-1,2-dicarboxylic acid dimethyl ester dimethyl 3-phenyl-5-(phenylmethylsulfanyl)benzene-1,2-dicarboxylate dimethyl 5-benzylsulfanyl-3-phenyl-benzene-1,2-dicarboxylate
Wiley ID 1530784