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2-Benzoyl-3-methyl-5-(p-anisylthio)benzoic acid methyl ester
SpectraBase Compound ID ID0JZ5uOuV4
InChI InChI=1S/C24H22O4S/c1-16-13-20(29-15-17-9-11-19(27-2)12-10-17)14-21(24(26)28-3)22(16)23(25)18-7-5-4-6-8-18/h4-14H,15H2,1-3H3
InChIKey NOSKHQMOCZODRW-UHFFFAOYSA-N
Mol Weight 406.5 g/mol
Molecular Formula C24H22O4S
Exact Mass 406.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8S16yNzWdDb
Name 2-Benzoyl-3-methyl-5-(p-anisylthio)benzoic acid methyl ester
Alternate Name(s) 2-Benzoyl-5-[(4-methoxyphenyl)methylthio]-3-methylbenzoic acid methyl ester Methyl 2-benzoyl-5-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-benzoate Methyl 5-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-2-(phenylcarbonyl)benzoate
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Formula C24H22O4S
InChI InChI=1S/C24H22O4S/c1-16-13-20(29-15-17-9-11-19(27-2)12-10-17)14-21(24(26)28-3)22(16)23(25)18-7-5-4-6-8-18/h4-14H,15H2,1-3H3
InChIKey NOSKHQMOCZODRW-UHFFFAOYSA-N
Molecular Weight 406.496 g/mol
SMILES C(c1c(c(cc(c1)SCc1ccc(cc1)OC)C)C(c1ccccc1)=O)(=O)OC
SPLASH splash10-05fr-0911500000-18f7f44a6c7676d2baef
Source of Spectrum J-64-6187-21
Wiley ID 1530775