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Cyclohexanone, 2,6-dimethyl-2-(3-oxo-1-butenyl)-, [2.alpha.(E),6.alpha.]-(.+-.)-
SpectraBase Compound ID D59D1jBIKIv
InChI InChI=1S/C12H18O2/c1-9-5-4-7-12(3,11(9)14)8-6-10(2)13/h6,8-9H,4-5,7H2,1-3H3/b8-6+
InChIKey RIDGNSRIGLCNGH-SOFGYWHQSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FVWSM3WcJQx
Name Cyclohexanone, 2,6-dimethyl-2-(3-oxo-1-butenyl)-, [2.alpha.(E),6.alpha.]-(.+-.)-
Alternate Name(s) (1'E,2RS,6RS)-2,6-Dimethyl-2-(3'-oxobut-1'-enyl)cyclohexanone 2,6-Dimethyl-2-[(1E)-3-oxo-1-butenyl]cyclohexanone
CAS Registry Number 131228-09-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-9-5-4-7-12(3,11(9)14)8-6-10(2)13/h6,8-9H,4-5,7H2,1-3H3/b8-6+
InChIKey RIDGNSRIGLCNGH-SOFGYWHQSA-N
Molecular Weight 194.274 g/mol
SMILES C1(C(\C=C\C(=O)C)(CCCC1C)C)=O
SPLASH splash10-0007-9100000000-cc16bfb81dba32dcde49
Source of Spectrum B-43-1388-28
Wiley ID 1191173