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1-(2-hydroxyethylsulfanyl)-1-phenyl-butan-2-one
SpectraBase Compound ID C4olr0a1cii
InChI InChI=1S/C12H16O2S/c1-2-11(14)12(15-9-8-13)10-6-4-3-5-7-10/h3-7,12-13H,2,8-9H2,1H3
InChIKey ZMHAAWGFJJWYCU-UHFFFAOYSA-N
Mol Weight 224.32 g/mol
Molecular Formula C12H16O2S
Exact Mass 224.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfXd6QfhhXt
Name 1-(2-hydroxyethylsulfanyl)-1-phenyl-butan-2-one
Alternate Name(s) 1-(2-Hydroxyethylthio)-1-phenyl-2-butanone 1-(2-hydroxyethylthio)-1-phenyl-butan-2-one 1-[(2-hydroxyethyl)sulfanyl]-1-phenyl-2-butanone
CAS Registry Number 95110-62-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2S
InChI InChI=1S/C12H16O2S/c1-2-11(14)12(15-9-8-13)10-6-4-3-5-7-10/h3-7,12-13H,2,8-9H2,1H3
InChIKey ZMHAAWGFJJWYCU-UHFFFAOYSA-N
Molecular Weight 224.318 g/mol
SMILES OCCSC(C(=O)CC)c1ccccc1
SPLASH splash10-014l-3900000000-19c264cb830fd5f25597
Source of Spectrum AJ-58-2853-5
Wiley ID 1224878