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Bicyclo[3.2.2]non-3-en-2-one, 1-butyl-5-methyl-
SpectraBase Compound ID LWIuEiMuIH2
InChI InChI=1S/C14H22O/c1-3-4-6-14-10-8-13(2,9-11-14)7-5-12(14)15/h5,7H,3-4,6,8-11H2,1-2H3
InChIKey TWQBTWDRELAFEV-UHFFFAOYSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mKyjg7FNP5
Name Bicyclo[3.2.2]non-3-en-2-one, 1-butyl-5-methyl-
CAS Registry Number 101968-42-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O
InChI InChI=1S/C14H22O/c1-3-4-6-14-10-8-13(2,9-11-14)7-5-12(14)15/h5,7H,3-4,6,8-11H2,1-2H3
InChIKey TWQBTWDRELAFEV-UHFFFAOYSA-N
Molecular Weight 206.329 g/mol
SMILES C12(C(C=CC(CC2)(C)CC1)=O)CCCC
SPLASH splash10-0pdj-0930000000-b00a2f8d5d679376b508
Source of Spectrum F-43-5616-27
Synonyms 1-Butyl-5-methylbicyclo[3.2.2]non-3-en-2-one
Wiley ID 1205168