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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 BpJUlBXpRiI
Name Benzoic acid, 2-[bis(phenylthio)methyl]-4,6-dimethoxy-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 426.545 g/mol
SMILES c1cccc(SC(c2c(c(cc(c2)OC)OC)C(=O)OC)Sc2ccccc2)c1
SPLASH splash10-014i-1639000000-3c9a19befcde538068e7
Synonyms 2-[bis(phenylthio)methyl]-4,6-dimethoxy-benzoic acid methyl ester Methyl 2-[bis(phenylsulfanyl)methyl]-4,6-dimethoxy-benzoate 2-[bis(phenylthio)methyl]-4,6-dimethoxybenzoic acid methyl ester
Wiley ID 1490457