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3,5-Diethyl-4-(phenylthio)heptane-3,5-diol

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

3,5-Diethyl-4-(phenylthio)heptane-3,5-diol
SpectraBase Compound ID FqzrINjlxw5
InChI InChI=1S/C17H28O2S/c1-5-16(18,6-2)15(17(19,7-3)8-4)20-14-12-10-9-11-13-14/h9-13,15,18-19H,5-8H2,1-4H3
InChIKey UOWSLOQDSWRLFV-UHFFFAOYSA-N
Mol Weight 296.47 g/mol
Molecular Formula C17H28O2S
Exact Mass 296.181001 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IJYEUfQoD1m
Name 3,5-Diethyl-4-(phenylthio)heptane-3,5-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.181001314 u
Formula C17H28O2S
InChI InChI=1S/C17H28O2S/c1-5-16(18,6-2)15(17(19,7-3)8-4)20-14-12-10-9-11-13-14/h9-13,15,18-19H,5-8H2,1-4H3
InChIKey UOWSLOQDSWRLFV-UHFFFAOYSA-N
SMILES CCC(C(C(CC)(O)CC)SC=1C=CC=CC1)(O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918482