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3-Pentanol, 2,2,4-trimethyl-4-(phenylthio)-

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

3-Pentanol, 2,2,4-trimethyl-4-(phenylthio)-
SpectraBase Compound ID 3PdRLQTl227
InChI InChI=1S/C14H22OS/c1-13(2,3)12(15)14(4,5)16-11-9-7-6-8-10-11/h6-10,12,15H,1-5H3
InChIKey LNFKQDSMNMWASC-UHFFFAOYSA-N
Mol Weight 238.39 g/mol
Molecular Formula C14H22OS
Exact Mass 238.139137 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DkHcnHpz9Mb
Name 3-Pentanol, 2,2,4-trimethyl-4-(phenylthio)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.139136501 u
Formula C14H22OS
InChI InChI=1S/C14H22OS/c1-13(2,3)12(15)14(4,5)16-11-9-7-6-8-10-11/h6-10,12,15H,1-5H3
InChIKey LNFKQDSMNMWASC-UHFFFAOYSA-N
Molecular Weight 238.389 g/mol
SMILES C(SC1=CC=CC=C1)(C(C(C)(C)C)O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960707