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syn-5,5-Dimethyl-3-(phenylsulfonyl)-2-hexanol

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

syn-5,5-Dimethyl-3-(phenylsulfonyl)-2-hexanol
SpectraBase Compound ID 1epqHHc7nNA
InChI InChI=1S/C14H22O3S/c1-11(15)13(10-14(2,3)4)18(16,17)12-8-6-5-7-9-12/h5-9,11,13,15H,10H2,1-4H3
InChIKey YUEMDVUHKPLUIC-UHFFFAOYSA-N
Mol Weight 270.39 g/mol
Molecular Formula C14H22O3S
Exact Mass 270.128966 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C6DhUFmFFO8
Name syn-5,5-Dimethyl-3-(phenylsulfonyl)-2-hexanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.128965739 u
Formula C14H22O3S
InChI InChI=1S/C14H22O3S/c1-11(15)13(10-14(2,3)4)18(16,17)12-8-6-5-7-9-12/h5-9,11,13,15H,10H2,1-4H3
InChIKey YUEMDVUHKPLUIC-UHFFFAOYSA-N
SMILES CC(C(CC(C)(C)C)S(=O)(=O)C=1C=CC=CC1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.864366