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Ethan-1,1-D2-ol, 2-(phenylthio)-, acetate
SpectraBase Compound ID DMgkxbhKj1w
InChI InChI=1S/C10H12O2S/c1-9(11)12-7-8-13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3/i7D2
InChIKey QHOGNNXLGUVURK-RJSZUWSASA-N
Mol Weight 198.28 g/mol
Molecular Formula C10H102D2O2S
Exact Mass 198.068354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BDdVvrYXMH0
Name Ethan-1,1-D2-ol, 2-(phenylthio)-, acetate
CAS Registry Number 109244-22-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10D2O2S
InChI InChI=1S/C10H12O2S/c1-9(11)12-7-8-13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3/i7D2
InChIKey QHOGNNXLGUVURK-RJSZUWSASA-N
Molecular Weight 198.276 g/mol
SMILES C(=O)(OC(CSc1ccccc1)([2D])[2D])C
SPLASH splash10-000i-0900000000-3270ec3fa1f4616eaeae
Source of Spectrum J-54-764-5
Synonyms 1-Acetoxy-1,1-dideuterio-2-(phenylthio)ethane
Wiley ID 1192726