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Bicyclo[3.2.2]non-6-en-2-one, 5-methyl-1-phenyl-, (.+-.)-
SpectraBase Compound ID KnVYYOH3aMr
InChI InChI=1S/C16H18O/c1-15-8-7-14(17)16(11-9-15,12-10-15)13-5-3-2-4-6-13/h2-6,9,11H,7-8,10,12H2,1H3
InChIKey PNLJJKHZUGLECP-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C16H18O
Exact Mass 226.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IWuqW8tDUVk
Name Bicyclo[3.2.2]non-6-en-2-one, 5-methyl-1-phenyl-, (.+-.)-
Alternate Name(s) 5-Methyl-1-phenylbicyclo[3.2.2]non-6-en-2-one
CAS Registry Number 117106-61-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18O
InChI InChI=1S/C16H18O/c1-15-8-7-14(17)16(11-9-15,12-10-15)13-5-3-2-4-6-13/h2-6,9,11H,7-8,10,12H2,1H3
InChIKey PNLJJKHZUGLECP-UHFFFAOYSA-N
Molecular Weight 226.319 g/mol
SMILES C12(C=CC(CC2)(C)CCC1=O)c1ccccc1
SPLASH splash10-05fr-0930000000-c1f45b14a1abca3dea02
Source of Spectrum F-43-5616-26
Wiley ID 1228215