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Methyl((2S,4S)-4-phenylpentan-2-yl)sulfane

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Methyl((2S,4S)-4-phenylpentan-2-yl)sulfane
SpectraBase Compound ID 4A6lv94eZg5
InChI InChI=1S/C12H18S/c1-10(9-11(2)13-3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3/t10-,11-/m0/s1
InChIKey VVLDNLQZYNOSIB-QWRGUYRKSA-N
Mol Weight 194.34 g/mol
Molecular Formula C12H18S
Exact Mass 194.112922 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FvbFU9lDgJP
Name Methyl((2S,4S)-4-phenylpentan-2-yl)sulfane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.112921754 u
Formula C12H18S
InChI InChI=1S/C12H18S/c1-10(9-11(2)13-3)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3/t10-,11-/m0/s1
InChIKey VVLDNLQZYNOSIB-QWRGUYRKSA-N
Molecular Weight 194.336 g/mol
SMILES C1(=CC=CC=C1)[C@@](C)(C[C@](C)(SC)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.833598