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4-Methylbenzyl mercaptan, S-(2-methylpropionyl)-
SpectraBase Compound ID FFrE9qBdQ2i
InChI InChI=1S/C12H16OS/c1-9(2)12(13)14-8-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
InChIKey ZUKJDPRXSIFYCI-UHFFFAOYSA-N
Mol Weight 208.32 g/mol
Molecular Formula C12H16OS
Exact Mass 208.092186 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FaudYKSsNhe
Name 4-Methylbenzyl mercaptan, S-(2-methylpropionyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.092186308 u
Formula C12H16OS
InChI InChI=1S/C12H16OS/c1-9(2)12(13)14-8-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
InChIKey ZUKJDPRXSIFYCI-UHFFFAOYSA-N
Molecular Weight 208.319 g/mol
SMILES C(SC(C(C)C)=O)C1=CC=C(C=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936216