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2,5-Dichlorobenzenethiol, S-(2-methylpropionyl)-

View entire compound with spectra: 1 FTIR

2,5-Dichlorobenzenethiol, S-(2-methylpropionyl)-
SpectraBase Compound ID 6fGEFRgpdR3
InChI InChI=1S/C10H10Cl2OS/c1-6(2)10(13)14-9-5-7(11)3-4-8(9)12/h3-6H,1-2H3
InChIKey DXWZNQWPXJAUIX-UHFFFAOYSA-N
Mol Weight 249.15 g/mol
Molecular Formula C10H10Cl2OS
Exact Mass 247.982942 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1QDBeBiGEeN
Name 2,5-Dichlorobenzenethiol, S-(2-methylpropionyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.982941515 u
Formula C10H10Cl2OS
InChI InChI=1S/C10H10Cl2OS/c1-6(2)10(13)14-9-5-7(11)3-4-8(9)12/h3-6H,1-2H3
InChIKey DXWZNQWPXJAUIX-UHFFFAOYSA-N
Molecular Weight 249.155 g/mol
SMILES C1(SC(C(C)C)=O)=C(C=CC(=C1)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941429