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1,2-benzenedicarboxylic acid, 3-hydroxy-5-(phenylthio)-, dimethyl ester
SpectraBase Compound ID CiK4stQtckZ
InChI InChI=1S/C16H14O5S/c1-20-15(18)12-8-11(22-10-6-4-3-5-7-10)9-13(17)14(12)16(19)21-2/h3-9,17H,1-2H3
InChIKey LGWQUSLPROLQTC-UHFFFAOYSA-N
Mol Weight 318.34 g/mol
Molecular Formula C16H14O5S
Exact Mass 318.056195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BhZKt9RaCgV
Name 1,2-benzenedicarboxylic acid, 3-hydroxy-5-(phenylthio)-, dimethyl ester
CAS Registry Number 102736-41-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O5S
InChI InChI=1S/C16H14O5S/c1-20-15(18)12-8-11(22-10-6-4-3-5-7-10)9-13(17)14(12)16(19)21-2/h3-9,17H,1-2H3
InChIKey LGWQUSLPROLQTC-UHFFFAOYSA-N
Molecular Weight 318.343 g/mol
SMILES Oc1c(c(C(=O)OC)cc(c1)Sc1ccccc1)C(=O)OC
SPLASH splash10-0kc2-0940000000-2bbfd050b59945216473
Source of Spectrum J-51-3016-17
Synonyms Dimethyl 3-Hydroxy-5-phenylsulfanylphthalate Dimethyl 3-hydroxy-5-(phenylsulfanyl)phthalate
Wiley ID 1318260