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2,5-Dimethyl-5-methoxy-3-methylthio-4-(4-methylphenyl)-2-cyclopentene-1-one
SpectraBase Compound ID EX0oKg1buRQ
InChI InChI=1S/C16H20O2S/c1-10-6-8-12(9-7-10)13-14(19-5)11(2)15(17)16(13,3)18-4/h6-9,13H,1-5H3
InChIKey IZPSNYIHJOCQKH-UHFFFAOYSA-N
Mol Weight 276.39 g/mol
Molecular Formula C16H20O2S
Exact Mass 276.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JMgUlkiv0kH
Name 2,5-Dimethyl-5-methoxy-3-methylthio-4-(4-methylphenyl)-2-cyclopentene-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C16H20O2S
InChI InChI=1S/C16H20O2S/c1-10-6-8-12(9-7-10)13-14(19-5)11(2)15(17)16(13,3)18-4/h6-9,13H,1-5H3
InChIKey IZPSNYIHJOCQKH-UHFFFAOYSA-N
Molecular Weight 276.394 g/mol
SMILES C1(C(=C(C(C1(OC)C)c1ccc(cc1)C)SC)C)=O
SPLASH splash10-0002-0090000000-1c01ca9008ac94d4bbee
Source of Spectrum SO-0-283-4
Synonyms 5-methoxy-2,5-dimethyl-4-(4-methylphenyl)-3-(methylsulfanyl)-2-cyclopenten-1-one
Wiley ID 1539874