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3-Ethoxythiophenol, S-trimethylacetyl-

View entire compound with spectra: 1 FTIR

3-Ethoxythiophenol, S-trimethylacetyl-
SpectraBase Compound ID 9GPo5F1l40a
InChI InChI=1S/C13H18O2S/c1-5-15-10-7-6-8-11(9-10)16-12(14)13(2,3)4/h6-9H,5H2,1-4H3
InChIKey KBBYNEDVKITTOH-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 4JHhzSvE8Nl
Name 3-Ethoxythiophenol, 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/c1-5-15-10-7-6-8-11(9-10)16-12(14)13(2,3)4/h6-9H,5H2,1-4H3
InChIKey KBBYNEDVKITTOH-UHFFFAOYSA-N
Molecular Weight 238.345 g/mol
SMILES C1(SC(C(C)(C)C)=O)=CC(=CC=C1)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863147