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1,4-Cyclohexanedione, 2-methyl-
SpectraBase Compound ID 5IE47EHFstL
InChI InChI=1S/C7H10O2/c1-5-4-6(8)2-3-7(5)9/h5H,2-4H2,1H3
InChIKey QRDRHCQVKCDSJY-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 3fqOu4HjZTL
Name 1,4-Cyclohexanedione, 2-methyl-
Alternate Name(s) 2-Methylcyclohexane-1,4-dione 2-Methylcyclohexane-1,4-quinone
CAS Registry Number 13742-19-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O2
InChI InChI=1S/C7H10O2/c1-5-4-6(8)2-3-7(5)9/h5H,2-4H2,1H3
InChIKey QRDRHCQVKCDSJY-UHFFFAOYSA-N
Molecular Weight 126.155 g/mol
SMILES C1(C(CC(CC1)=O)C)=O
SPLASH splash10-0a6u-9500000000-8e3c9f51962a4f61376f
Source of Spectrum KC-1979-3097-0
Wiley ID 1129899