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4,4'-Dibenzoyl-3,3'-dimethyl-5,5'-disulfanyldiyldibenzoic acid dimethyl ester
SpectraBase Compound ID 13eAMgUVLae
InChI InChI=1S/C32H26O6S2/c1-19-15-23(17-25(31(35)37-3)27(19)29(33)21-11-7-5-8-12-21)39-40-24-16-20(2)28(26(18-24)32(36)38-4)30(34)22-13-9-6-10-14-22/h5-18H,1-4H3
InChIKey POBBKMSAFKXPMP-UHFFFAOYSA-N
Mol Weight 570.7 g/mol
Molecular Formula C32H26O6S2
Exact Mass 570.117081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7S7c6N0qUga
Name 4,4'-Dibenzoyl-3,3'-dimethyl-5,5'-disulfanyldiyldibenzoic acid dimethyl ester
Alternate Name(s) 2-Benzoyl-5-[(4-benzoyl-3-methoxycarbonyl-5-methylphenyl)disulfanyl]-3-methylbenzoic acid methyl ester Methyl 2-benzoyl-5-[(4-benzoyl-3-methoxycarbonyl-5-methylphenyl)disulfanyl]-3-methylbenzoate Methyl 2-benzoyl-5-[(4-benzoyl-3-methoxycarbonyl-5-methyl-phenyl)disulfanyl]-3-methyl-benzoate Methyl 5-[[3-methoxycarbonyl-5-methyl-4-(phenylcarbonyl)phenyl]disulfanyl]-3-methyl-2-(phenylcarbonyl)benzoate
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Formula C32H26O6S2
InChI InChI=1S/C32H26O6S2/c1-19-15-23(17-25(31(35)37-3)27(19)29(33)21-11-7-5-8-12-21)39-40-24-16-20(2)28(26(18-24)32(36)38-4)30(34)22-13-9-6-10-14-22/h5-18H,1-4H3
InChIKey POBBKMSAFKXPMP-UHFFFAOYSA-N
Molecular Weight 570.674 g/mol
SMILES c1(c(C(=O)c2ccccc2)c(C)cc(c1)SSc1cc(C(=O)OC)c(c(c1)C)C(=O)c1ccccc1)C(=O)OC
SPLASH splash10-0a4i-4931070000-38114c4a8ea700fc8c0c
Source of Spectrum J-64-6188-36
Wiley ID 1530760