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Ethyl 1,1'-bi(cyclohexane)-1,2'-dien-3-one
SpectraBase Compound ID 8FpfSqX1LD9
InChI InChI=1S/C12H16O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h2,5,9-10H,1,3-4,6-8H2
InChIKey IJPPYXIBNBQETG-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ej5888t3rT6
Name Ethyl 1,1'-bi(cyclohexane)-1,2'-dien-3-one
Alternate Name(s) [1,1'-bi(cyclohexane)]-1,2'-dien-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h2,5,9-10H,1,3-4,6-8H2
InChIKey IJPPYXIBNBQETG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201302058
Molecular Weight 176.259 g/mol
SMILES C1CCC(=CC1=O)C1C=CCCC1
SPLASH splash10-006x-6900000000-1216e9a15a52791899a6
Source of Spectrum ACI-52-SMS12-4i
Wiley ID 1781436