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(1S,2S)-2-(4-t-Butylphenylthio)cyclopentanol

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

(1S,2S)-2-(4-t-Butylphenylthio)cyclopentanol
SpectraBase Compound ID LJS082pzYZd
InChI InChI=1S/C15H22OS/c1-15(2,3)11-7-9-12(10-8-11)17-14-6-4-5-13(14)16/h7-10,13-14,16H,4-6H2,1-3H3/t13-,14-/m0/s1
InChIKey PTBSFBBHSXJJQR-KBPBESRZSA-N
Mol Weight 250.4 g/mol
Molecular Formula C15H22OS
Exact Mass 250.139137 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F7rOJN2dChr
Name (1S,2S)-2-(4-T-Butylphenylthio)cyclopentanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.139136501 u
Formula C15H22OS
InChI InChI=1S/C15H22OS/c1-15(2,3)11-7-9-12(10-8-11)17-14-6-4-5-13(14)16/h7-10,13-14,16H,4-6H2,1-3H3/t13-,14-/m0/s1
InChIKey PTBSFBBHSXJJQR-KBPBESRZSA-N
Molecular Weight 250.400 g/mol
SMILES [C@]1(SC2=CC=C(C(C)(C)C)C=C2)([C@@](O)(CCC1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.853313