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5,5-DIMETHYL-2-(2'-OXO-PROPYL)-CYCLOHEXA-1,3-DIONE
SpectraBase Compound ID 71KatRflPai
InChI InChI=1S/C11H16O3/c1-7(12)4-8-9(13)5-11(2,3)6-10(8)14/h8H,4-6H2,1-3H3
InChIKey AIZYSTCNHMEEQO-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 2X2fpFsDVg
Name 5,5-Dimethyl-2-(2-oxopropyl)cyclohexane-1,3-dione
Alternate Name(s) 2-Acetonyl-5,5-dimethyl-cyclohexane-1,3-dione 5,5-Dimethyl-2-(2-oxidanylidenepropyl)cyclohexane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-7(12)4-8-9(13)5-11(2,3)6-10(8)14/h8H,4-6H2,1-3H3
InChIKey AIZYSTCNHMEEQO-UHFFFAOYSA-N
Literature Reference DOI 10.1248/cpb.c13-00003
Molecular Weight 196.246 g/mol
SMILES C1(C)(CC(C(C(C1)=O)CC(C)=O)=O)C
SPLASH splash10-0f6t-7900000000-3ae11366fb56a43b28fd
Source of Spectrum E1-62-21-12
Wiley ID 1743588