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2-Benzoyl-3,4-dimethyl-5-(p-anisylthio)benzoic acid methyl ester
SpectraBase Compound ID 5OAJIjp0kRG
InChI InChI=1S/C25H24O4S/c1-16-17(2)23(24(26)19-8-6-5-7-9-19)21(25(27)29-4)14-22(16)30-15-18-10-12-20(28-3)13-11-18/h5-14H,15H2,1-4H3
InChIKey NPUKXWQBGUQSIT-UHFFFAOYSA-N
Mol Weight 420.52 g/mol
Molecular Formula C25H24O4S
Exact Mass 420.13953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvwKq2PXzLl
Name 2-Benzoyl-3,4-dimethyl-5-(p-anisylthio)benzoic acid methyl ester
Alternate Name(s) 2-Benzoyl-5-[(4-methoxyphenyl)methylthio]-3,4-dimethylbenzoic acid methyl ester Methyl 2-benzoyl-5-[(4-methoxyphenyl)methylsulfanyl]-3,4-dimethyl-benzoate Methyl 5-[(4-methoxyphenyl)methylsulfanyl]-3,4-dimethyl-2-(phenylcarbonyl)benzoate
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Formula C25H24O4S
InChI InChI=1S/C25H24O4S/c1-16-17(2)23(24(26)19-8-6-5-7-9-19)21(25(27)29-4)14-22(16)30-15-18-10-12-20(28-3)13-11-18/h5-14H,15H2,1-4H3
InChIKey NPUKXWQBGUQSIT-UHFFFAOYSA-N
Molecular Weight 420.523 g/mol
SMILES C(c1c(c(c(c(c1)SCc1ccc(cc1)OC)C)C)C(c1ccccc1)=O)(=O)OC
SPLASH splash10-00di-0900100000-94f976100e1fcadcbaaf
Source of Spectrum J-64-6187-23
Wiley ID 1530773