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4-(2,2-Dimethyl-1-hydroxypropyl)benzyl mercaptan

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

4-(2,2-Dimethyl-1-hydroxypropyl)benzyl mercaptan
SpectraBase Compound ID GNNtpGUS0Ct
InChI InChI=1S/C12H18OS/c1-12(2,3)11(13)10-6-4-9(8-14)5-7-10/h4-7,11,13-14H,8H2,1-3H3
InChIKey JHCHWHRUVIGXEQ-UHFFFAOYSA-N
Mol Weight 210.33 g/mol
Molecular Formula C12H18OS
Exact Mass 210.107836 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2HTyH6TiM7F
Name 4-(2,2-Dimethyl-1-hydroxypropyl)benzyl mercaptan
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.107836373 u
Formula C12H18OS
InChI InChI=1S/C12H18OS/c1-12(2,3)11(13)10-6-4-9(8-14)5-7-10/h4-7,11,13-14H,8H2,1-3H3
InChIKey JHCHWHRUVIGXEQ-UHFFFAOYSA-N
Molecular Weight 210.335 g/mol
SMILES C(C=1C=CC(=CC1)C(C(C)(C)C)O)S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96226