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1,2-Benzenedimethanethiol, S,S'-diacetyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

1,2-Benzenedimethanethiol, S,S'-diacetyl-
SpectraBase Compound ID 2S121ty6Zpt
InChI InChI=1S/C12H14O2S2/c1-9(13)15-7-11-5-3-4-6-12(11)8-16-10(2)14/h3-6H,7-8H2,1-2H3
InChIKey QWQXTHVGDKJKJU-UHFFFAOYSA-N
Mol Weight 254.36 g/mol
Molecular Formula C12H14O2S2
Exact Mass 254.043522 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L1CqM60lDoX
Name 1,2-Benzenedimethanethiol, S,S'-diacetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.043522037 u
Formula C12H14O2S2
InChI InChI=1S/C12H14O2S2/c1-9(13)15-7-11-5-3-4-6-12(11)8-16-10(2)14/h3-6H,7-8H2,1-2H3
InChIKey QWQXTHVGDKJKJU-UHFFFAOYSA-N
Molecular Weight 254.362 g/mol
SMILES C1(=CC=CC=C1CSC(C)=O)CSC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892147