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1-Butanol, 2-ethyl-3-methyl-2-(phenylthio)-

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

1-Butanol, 2-ethyl-3-methyl-2-(phenylthio)-
SpectraBase Compound ID KAXq6LdJR8D
InChI InChI=1S/C13H20OS/c1-4-13(10-14,11(2)3)15-12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3
InChIKey YFVMLOKFHNXZKK-UHFFFAOYSA-N
Mol Weight 224.36 g/mol
Molecular Formula C13H20OS
Exact Mass 224.123486 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5trRrrOem0N
Name 1-Butanol, 2-ethyl-3-methyl-2-(phenylthio)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.123486437 u
Formula C13H20OS
InChI InChI=1S/C13H20OS/c1-4-13(10-14,11(2)3)15-12-8-6-5-7-9-12/h5-9,11,14H,4,10H2,1-3H3
InChIKey YFVMLOKFHNXZKK-UHFFFAOYSA-N
Molecular Weight 224.362 g/mol
SMILES C(SC=1C=CC=CC1)(C(C)C)(CO)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.829935