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4-Methylcyclohexane-1,3-dione
SpectraBase Compound ID Kskv7tid6TC
InChI InChI=1S/C7H10O2/c1-5-2-3-6(8)4-7(5)9/h5H,2-4H2,1H3
InChIKey BXDJIVKCVVTETR-UHFFFAOYSA-N
Mol Weight 126.15 g/mol
Molecular Formula C7H10O2
Exact Mass 126.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xmHIWXEENa
Name 4-Methylcyclohexane-1,3-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O2
InChI InChI=1S/C7H10O2/c1-5-2-3-6(8)4-7(5)9/h5H,2-4H2,1H3
InChIKey BXDJIVKCVVTETR-UHFFFAOYSA-N
Molecular Weight 126.155 g/mol
SMILES C1(CC(C(CC1)C)=O)=O
SPLASH splash10-003r-9800000000-d63a98f81253c7107224
Source of Spectrum SO-0-477-2
Synonyms 4-Methyl-1,3-cyclohexanedione 4-methylcyclohexane-1,3-quinone
Wiley ID 1538910