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2,5-Dichlorobenzenethiol, S-trimethylacetyl-

View entire compound with spectra: 1 FTIR

2,5-Dichlorobenzenethiol, S-trimethylacetyl-
SpectraBase Compound ID JeShcynMDWm
InChI InChI=1S/C11H12Cl2OS/c1-11(2,3)10(14)15-9-6-7(12)4-5-8(9)13/h4-6H,1-3H3
InChIKey VBRYMKBEHROOJQ-UHFFFAOYSA-N
Mol Weight 263.18 g/mol
Molecular Formula C11H12Cl2OS
Exact Mass 261.998592 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IVhIP5Vv0a5
Name 2,5-Dichlorobenzenethiol, S-trimethylacetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 261.998591579 u
Formula C11H12Cl2OS
InChI InChI=1S/C11H12Cl2OS/c1-11(2,3)10(14)15-9-6-7(12)4-5-8(9)13/h4-6H,1-3H3
InChIKey VBRYMKBEHROOJQ-UHFFFAOYSA-N
Molecular Weight 263.182 g/mol
SMILES C1(SC(C(C)(C)C)=O)=C(C=CC(=C1)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898504