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3-(1,3-dimethyl-2-oxocyclohexyl)propanal
SpectraBase Compound ID 7bNPt7hLJSD
InChI InChI=1S/C11H18O2/c1-9-5-3-6-11(2,10(9)13)7-4-8-12/h8-9H,3-7H2,1-2H3
InChIKey LQZFNADSGVMIQG-UHFFFAOYSA-N
Mol Weight 182.26 g/mol
Molecular Formula C11H18O2
Exact Mass 182.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkxZosT0QsA
Name 3-(1,3-dimethyl-2-oxocyclohexyl)propanal
Alternate Name(s) 3-(1,3-dimethyl-2-oxo-cyclohexyl)propanal 3-(1,3-dimethyl-2-oxidanylidene-cyclohexyl)propanal
CAS Registry Number 121944-70-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O2
InChI InChI=1S/C11H18O2/c1-9-5-3-6-11(2,10(9)13)7-4-8-12/h8-9H,3-7H2,1-2H3
InChIKey LQZFNADSGVMIQG-UHFFFAOYSA-N
Molecular Weight 182.263 g/mol
SMILES C1(C(CCCC1C)(CCC=O)C)=O
SPLASH splash10-004i-0900000000-e83a757c883ab4576503
Source of Spectrum F-44-4842-10
Wiley ID 1178788