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1-[(1S)-1,3,3-trimethyl-2-oxidanylidene-cyclohexyl]pentane-1,4-dione
SpectraBase Compound ID DDhpvaqTmoP
InChI InChI=1S/C14H22O3/c1-10(15)6-7-11(16)14(4)9-5-8-13(2,3)12(14)17/h5-9H2,1-4H3/t14-/m0/s1
InChIKey DBKNAIYCSLWFQM-AWEZNQCLSA-N
Mol Weight 238.33 g/mol
Molecular Formula C14H22O3
Exact Mass 238.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A1dxYAzLjLb
Name 1-[(1S)-1,3,3-trimethyl-2-oxidanylidene-cyclohexyl]pentane-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O3
InChI InChI=1S/C14H22O3/c1-10(15)6-7-11(16)14(4)9-5-8-13(2,3)12(14)17/h5-9H2,1-4H3/t14-/m0/s1
InChIKey DBKNAIYCSLWFQM-AWEZNQCLSA-N
Molecular Weight 238.327 g/mol
SMILES [C@]1(C(C(C)(C)CCC1)=O)(C(=O)CCC(=O)C)C
SPLASH splash10-0007-5900000000-658a5db5385ed055bd79
Source of Spectrum F-55-767-10
Synonyms 1-[(1S)-1,3,3-trimethyl-2-oxo-cyclohexyl]pentane-1,4-dione 1-[(1S)-2-keto-1,3,3-trimethyl-cyclohexyl]pentane-1,4-dione
Wiley ID 836607