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3-(2-ketocyclohexyl)pentane-2,4-dione
SpectraBase Compound ID CDtIGVzVtET
InChI InChI=1S/C11H16O3/c1-7(12)11(8(2)13)9-5-3-4-6-10(9)14/h9,11H,3-6H2,1-2H3
InChIKey YGWILYQBKMRZQK-UHFFFAOYSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DqQic1pSY4Z
Name 3-(2-ketocyclohexyl)pentane-2,4-dione
Alternate Name(s) 3-(2-oxidanylidenecyclohexyl)pentane-2,4-dione 3-(2-Oxocyclohexyl)-2,4-pentanedione 3-(2-oxocyclohexyl)pentane-2,4-dione
CAS Registry Number 71041-29-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-7(12)11(8(2)13)9-5-3-4-6-10(9)14/h9,11H,3-6H2,1-2H3
InChIKey YGWILYQBKMRZQK-UHFFFAOYSA-N
Molecular Weight 196.246 g/mol
SMILES C(C1C(=O)CCCC1)(C(=O)C)C(=O)C
SPLASH splash10-01ow-9700000000-d492a70970ca6db70c03
Source of Spectrum J-44-3523-0
Wiley ID 1193093