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2,5-Dimethyl-5-methoxy-3-methylthio-4-phenyl-2-cyclopentene-1-one
SpectraBase Compound ID FErbH1Rup9Q
InChI InChI=1S/C15H18O2S/c1-10-13(18-4)12(11-8-6-5-7-9-11)15(2,17-3)14(10)16/h5-9,12H,1-4H3
InChIKey ZUTPHXLZIQYVTI-UHFFFAOYSA-N
Mol Weight 262.37 g/mol
Molecular Formula C15H18O2S
Exact Mass 262.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkWOJZFluMV
Name 2,5-Dimethyl-5-methoxy-3-methylthio-4-phenyl-2-cyclopentene-1-one
Alternate Name(s) 5-methoxy-2,5-dimethyl-3-(methylsulfanyl)-4-phenyl-2-cyclopenten-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C15H18O2S
InChI InChI=1S/C15H18O2S/c1-10-13(18-4)12(11-8-6-5-7-9-11)15(2,17-3)14(10)16/h5-9,12H,1-4H3
InChIKey ZUTPHXLZIQYVTI-UHFFFAOYSA-N
Molecular Weight 262.367 g/mol
SMILES C1(C(=C(C(C1(OC)C)c1ccccc1)SC)C)=O
SPLASH splash10-001i-0090000000-89b9a90ab772e7ba8d6d
Source of Spectrum SO-0-283-4
Wiley ID 1539875