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(1R)-1-[(2S)-2-oxanyl]-3-(phenylthio)-1-propanol

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

(1R)-1-[(2S)-2-oxanyl]-3-(phenylthio)-1-propanol
SpectraBase Compound ID FOuPuhE2yGv
InChI InChI=1S/C14H20O2S/c15-13(14-8-4-5-10-16-14)9-11-17-12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11H2/t13-,14+/m0/s1
InChIKey QOZRBMKZMZJCQR-UONOGXRCSA-N
Mol Weight 252.37 g/mol
Molecular Formula C14H20O2S
Exact Mass 252.118401 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8ILJXH7rNfP
Name (1R)-1-[(2S)-2-Oxanyl]-3-(phenylthio)-1-propanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.118401056 u
Formula C14H20O2S
InChI InChI=1S/C14H20O2S/c15-13(14-8-4-5-10-16-14)9-11-17-12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11H2/t13-,14+/m0/s1
InChIKey QOZRBMKZMZJCQR-UONOGXRCSA-N
Molecular Weight 252.372 g/mol
SMILES [C@@]1(OCCCC1)([C@](CCSC1=CC=CC=C1)(O)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.846771