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3,4-Bis(hydroxyphenylmethyl)tetrahydrothiophene-2,5-dione

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

3,4-Bis(hydroxyphenylmethyl)tetrahydrothiophene-2,5-dione
SpectraBase Compound ID 9vLbs1ezQLS
InChI InChI=1S/C18H16O4S/c19-15(11-7-3-1-4-8-11)13-14(18(22)23-17(13)21)16(20)12-9-5-2-6-10-12/h1-10,13-16,19-20H
InChIKey QBBOWCODXLLGEQ-UHFFFAOYSA-N
Mol Weight 328.38 g/mol
Molecular Formula C18H16O4S
Exact Mass 328.07693 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HhFqsKJPPjs
Name 3,4-bis(Hydroxyphenylmethyl)tetrahydrothiophene-2,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.076930165 u
Formula C18H16O4S
InChI InChI=1S/C18H16O4S/c19-15(11-7-3-1-4-8-11)13-14(18(22)23-17(13)21)16(20)12-9-5-2-6-10-12/h1-10,13-16,19-20H
InChIKey QBBOWCODXLLGEQ-UHFFFAOYSA-N
Molecular Weight 328.382 g/mol
SMILES C1(C(C(=O)SC1=O)C(C=1C=CC=CC1)O)C(C=1C=CC=CC1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.9041