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2-Benzoyl-3-phenyl-5-(phenylmethylthio)benzoic acid methyl ester
SpectraBase Compound ID 4l4kSaKQN5G
InChI InChI=1S/C28H22O3S/c1-31-28(30)25-18-23(32-19-20-11-5-2-6-12-20)17-24(21-13-7-3-8-14-21)26(25)27(29)22-15-9-4-10-16-22/h2-18H,19H2,1H3
InChIKey IFVHULUROCPWRZ-UHFFFAOYSA-N
Mol Weight 438.54 g/mol
Molecular Formula C28H22O3S
Exact Mass 438.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRW0TB9jY7J
Name 2-Benzoyl-3-phenyl-5-(phenylmethylthio)benzoic acid methyl ester
Alternate Name(s) 2-Benzoyl-5-(benzylthio)-3-phenyl-benzoic acid methyl ester Methyl 2-benzoyl-5-benzylsulfanyl-3-phenyl-benzoate Methyl 3-phenyl-2-(phenylcarbonyl)-5-(phenylmethylsulfanyl)benzoate
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Formula C28H22O3S
InChI InChI=1S/C28H22O3S/c1-31-28(30)25-18-23(32-19-20-11-5-2-6-12-20)17-24(21-13-7-3-8-14-21)26(25)27(29)22-15-9-4-10-16-22/h2-18H,19H2,1H3
InChIKey IFVHULUROCPWRZ-UHFFFAOYSA-N
Molecular Weight 438.541 g/mol
SMILES c1(c(c(cc(c1)SCc1ccccc1)C(=O)OC)C(c1ccccc1)=O)-c1ccccc1
SPLASH splash10-000i-0000900000-59d1bc0e17813999a12b
Source of Spectrum J-64-6186-11
Wiley ID 1530785