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4-Methoxybenzyl mercaptan, S-trimethylacetyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

4-Methoxybenzyl mercaptan, S-trimethylacetyl-
SpectraBase Compound ID 2H7Uj1GE5nH
InChI InChI=1S/C13H18O2S/c1-13(2,3)12(14)16-9-10-5-7-11(15-4)8-6-10/h5-8H,9H2,1-4H3
InChIKey CINANYUESFBBBI-UHFFFAOYSA-N
Mol Weight 238.34 g/mol
Molecular Formula C13H18O2S
Exact Mass 238.102751 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5gtWTy7e3wI
Name 4-Methoxybenzyl mercaptan, S-trimethylacetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.102750992 u
Formula C13H18O2S
InChI InChI=1S/C13H18O2S/c1-13(2,3)12(14)16-9-10-5-7-11(15-4)8-6-10/h5-8H,9H2,1-4H3
InChIKey CINANYUESFBBBI-UHFFFAOYSA-N
Molecular Weight 238.345 g/mol
SMILES C(SC(C(C)(C)C)=O)C1=CC=C(C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.88097