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2-Phenylsulfanylethyl ethanoate
SpectraBase Compound ID IicKWHUSCFe
InChI InChI=1S/C10H12O2S/c1-9(11)12-7-8-13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey QHOGNNXLGUVURK-UHFFFAOYSA-N
Mol Weight 196.26 g/mol
Molecular Formula C10H12O2S
Exact Mass 196.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BVUQ6X9lMk
Name 2-Phenylsulfanylethyl ethanoate
Alternate Name(s) Acetic acid 2-(phenylthio)ethyl ester
CAS Registry Number 20965-30-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2S
InChI InChI=1S/C10H12O2S/c1-9(11)12-7-8-13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey QHOGNNXLGUVURK-UHFFFAOYSA-N
Molecular Weight 196.264 g/mol
SMILES C(=O)(OCCSc1ccccc1)C
SPLASH splash10-000i-0900000000-9b7b5dda1f1128a65498
Source of Spectrum J-54-763-0
Wiley ID 1192712