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5-Methyl-1,3-cyclohexanedione
SpectraBase Compound ID I62IZ3zUv09
InChI InChI=1S/C7H10O2/c1-5-2-6(8)4-7(9)3-5/h5H,2-4H2,1H3
InChIKey DMIIMPQQPXUKOO-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 1Rq1KXIZBIF
Name 5-Methyl-1,3-cyclohexanedione
Alternate Name(s) 5-Methylcyclohexane-1,3-dione 5-Methylcyclohexane-1,3-quinone
CAS Registry Number 4341-24-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O2
InChI InChI=1S/C7H10O2/c1-5-2-6(8)4-7(9)3-5/h5H,2-4H2,1H3
InChIKey DMIIMPQQPXUKOO-UHFFFAOYSA-N
Molecular Weight 126.155 g/mol
SMILES C1(CC(=O)CC(C1)C)=O
SPLASH splash10-0691-9100000000-76e6368651413f78b49f
Source of Spectrum U-1992-140-3
Wiley ID 763763