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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 3blpDyfbdJR
Name 1-(Phenylsulfanyl)acetone
Alternate Name(s) 1-(phenylthio)-2-propanone 1-(Phenylthio)acetone 1-phenylsulfanylpropan-2-one
CAS Registry Number 5042-53-5
Comments Less than 3 mono-isotopic peaks
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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 splash10-00dj-5900000000-d2919d24f5711d0c3734
Source of Spectrum J-52-3195-12
Wiley ID 1162131