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5-Chloro-2-methylthiophenol, S-trimethylacetyl-

View entire compound with spectra: 1 FTIR

5-Chloro-2-methylthiophenol, S-trimethylacetyl-
SpectraBase Compound ID DdXV3fdBKj6
InChI InChI=1S/C12H15ClOS/c1-8-5-6-9(13)7-10(8)15-11(14)12(2,3)4/h5-7H,1-4H3
InChIKey PKMFFIZNIZPHRZ-UHFFFAOYSA-N
Mol Weight 242.76 g/mol
Molecular Formula C12H15ClOS
Exact Mass 242.053214 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fnu7qmgGLLE
Name 5-Chloro-2-methylthiophenol, S-trimethylacetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.053213976 u
Formula C12H15ClOS
InChI InChI=1S/C12H15ClOS/c1-8-5-6-9(13)7-10(8)15-11(14)12(2,3)4/h5-7H,1-4H3
InChIKey PKMFFIZNIZPHRZ-UHFFFAOYSA-N
Molecular Weight 242.764 g/mol
SMILES C1(SC(C(C)(C)C)=O)=C(C=CC(=C1)Cl)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876906