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Benzoic acid, 2-[bis(phenylthio)methyl]-4,6-dimethoxy-, methyl ester
SpectraBase Compound ID EIKMbJOqRHn
InChI InChI=1S/C23H22O4S2/c1-25-16-14-19(21(22(24)27-3)20(15-16)26-2)23(28-17-10-6-4-7-11-17)29-18-12-8-5-9-13-18/h4-15,23H,1-3H3
InChIKey RGGVDBDEYPOLAZ-UHFFFAOYSA-N
Mol Weight 426.55 g/mol
Molecular Formula C23H22O4S2
Exact Mass 426.095952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JdyUJuG1uyV
Name BENZOIC ACID, 2-[BIS(PHENYLTHIO)METHYL]-4,6-DIMETHOXY-, METHYL ESTER
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Formula C23H22O4S2
InChI InChI=1S/C23H22O4S2/c1-25-16-14-19(21(22(24)27-3)20(15-16)26-2)23(28-17-10-6-4-7-11-17)29-18-12-8-5-9-13-18/h4-15,23H,1-3H3
InChIKey RGGVDBDEYPOLAZ-UHFFFAOYSA-N
Molecular Weight 426.0954
SMILES c1c(OC)cc(C(Sc2ccccc2)Sc2ccccc2)c(C(OC)=O)c1OC
SPLASH splash10-014i-1639000000-f7d55af4d4b385d5032e
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany