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4-Tert-butyl-2-methylthiophenol, S-(2-methylpropionyl)-

View entire compound with spectra: 1 FTIR

4-Tert-butyl-2-methylthiophenol, S-(2-methylpropionyl)-
SpectraBase Compound ID 9GU6sZpWEyV
InChI InChI=1S/C15H22OS/c1-10(2)14(16)17-13-8-7-12(9-11(13)3)15(4,5)6/h7-10H,1-6H3
InChIKey NYVZFWIAEATHEP-UHFFFAOYSA-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 1ZZJC9EhiTi
Name 4-Tert-butyl-2-methylthiophenol, S-(2-methylpropionyl)-
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/c1-10(2)14(16)17-13-8-7-12(9-11(13)3)15(4,5)6/h7-10H,1-6H3
InChIKey NYVZFWIAEATHEP-UHFFFAOYSA-N
Molecular Weight 250.400 g/mol
SMILES C1(SC(C(C)C)=O)=C(C=C(C=C1)C(C)(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953581