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1-(Phenylsulfanyl)acetone
SpectraBase Compound ID 8qbjZ8dMAqg
InChI InChI=1S/C9H10OS/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey XREBEJBUPRGGTB-UHFFFAOYSA-N
Mol Weight 166.24 g/mol
Molecular Formula C9H10OS
Exact Mass 166.045236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rhaD6nLp2p
Name 1-(Phenylsulfanyl)acetone
CAS Registry Number 5042-53-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10OS
InChI InChI=1S/C9H10OS/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey XREBEJBUPRGGTB-UHFFFAOYSA-N
Molecular Weight 166.238 g/mol
SMILES CC(CSc1ccccc1)=O
SPLASH splash10-00xr-0900000000-739a456715381ffc7e9b
Source of Spectrum J-52-2739-1
Synonyms 1-(Phenylthio)-2-propanone 1-(Phenylthio)acetone 1-Phenylsulfanylpropan-2-one
Wiley ID 1162130