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5-(4-Methylphenyl)-1,3-cyclohexanedione
SpectraBase Compound ID JMTdRl2DPJt
InChI InChI=1S/C13H14O2/c1-9-2-4-10(5-3-9)11-6-12(14)8-13(15)7-11/h2-5,11H,6-8H2,1H3
InChIKey NFJVIBUOAMVFME-UHFFFAOYSA-N
Mol Weight 202.25 g/mol
Molecular Formula C13H14O2
Exact Mass 202.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FVorvqtFDKQ
Name 5-(4-Methylphenyl)-1,3-cyclohexanedione
CAS Registry Number 61888-37-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O2
InChI InChI=1S/C13H14O2/c1-9-2-4-10(5-3-9)11-6-12(14)8-13(15)7-11/h2-5,11H,6-8H2,1H3
InChIKey NFJVIBUOAMVFME-UHFFFAOYSA-N
Molecular Weight 202.253 g/mol
SMILES C1(c2ccc(cc2)C)CC(=O)CC(C1)=O
SPLASH splash10-014i-3920000000-b962e64a3fc4bb7b7eb0
Source of Spectrum AD-0-2532-0
Synonyms 5-(4-Methylphenyl)cyclohexane-1,3-dione 5-(p-tolyl)cyclohexane-1,3-dione 5-(p-tolyl)cyclohexane-1,3-quinone
Wiley ID 1427450