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4-(p-Chlorophenylthio)-2,2-dimethyl-6-phenyl-3-hexanol

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

4-(p-Chlorophenylthio)-2,2-dimethyl-6-phenyl-3-hexanol
SpectraBase Compound ID JOAFiVGkTrc
InChI InChI=1S/C20H25ClOS/c1-20(2,3)19(22)18(14-9-15-7-5-4-6-8-15)23-17-12-10-16(21)11-13-17/h4-8,10-13,18-19,22H,9,14H2,1-3H3
InChIKey LSBQCEBVIJBMQO-UHFFFAOYSA-N
Mol Weight 348.93 g/mol
Molecular Formula C20H25ClOS
Exact Mass 348.131464 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ABVXSUyS2hK
Name 4-(p-Chlorophenylthio)-2,2-dimethyl-6-phenyl-3-hexanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.131464298 u
Formula C20H25ClOS
InChI InChI=1S/C20H25ClOS/c1-20(2,3)19(22)18(14-9-15-7-5-4-6-8-15)23-17-12-10-16(21)11-13-17/h4-8,10-13,18-19,22H,9,14H2,1-3H3
InChIKey LSBQCEBVIJBMQO-UHFFFAOYSA-N
Molecular Weight 348.932 g/mol
SMILES CC(C(C(CCC=1C=CC=CC1)SC=1C=CC(=CC1)Cl)O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938853