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Ethanedioic acid, bis[[2-(phenylthio)phenyl]methyl]ester
SpectraBase Compound ID 95fD6Mx1Jxx
InChI InChI=1S/C28H22O4S2/c29-27(31-19-21-11-7-9-17-25(21)33-23-13-3-1-4-14-23)28(30)32-20-22-12-8-10-18-26(22)34-24-15-5-2-6-16-24/h1-18H,19-20H2
InChIKey VUSQCQFZDIKDMT-UHFFFAOYSA-N
Mol Weight 486.6 g/mol
Molecular Formula C28H22O4S2
Exact Mass 486.095952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FPZ5im1Kuej
Name Ethanedioic acid, bis[[2-(phenylthio)phenyl]methyl]ester
Alternate Name(s) bis[2-(phenylsulfanyl)benzyl]oxalate Bis[2-(thiophenoxy)benzyl]oxalates
CAS Registry Number 120454-38-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22O4S2
InChI InChI=1S/C28H22O4S2/c29-27(31-19-21-11-7-9-17-25(21)33-23-13-3-1-4-14-23)28(30)32-20-22-12-8-10-18-26(22)34-24-15-5-2-6-16-24/h1-18H,19-20H2
InChIKey VUSQCQFZDIKDMT-UHFFFAOYSA-N
Molecular Weight 486.600 g/mol
SMILES C(C(OCc1c(Sc2ccccc2)cccc1)=O)(OCc1c(Sc2ccccc2)cccc1)=O
SPLASH splash10-000b-0900500000-f87db1208b58ae3bc070
Source of Spectrum KC-1988-2878-18
Wiley ID 1396502