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2-Cyclohexen-1-one, 4,5-dimethyl-
SpectraBase Compound ID I0vw3B426Ey
InChI InChI=1S/C8H12O/c1-6-3-4-8(9)5-7(6)2/h3-4,6-7H,5H2,1-2H3
InChIKey XADBPCVQACZOEL-UHFFFAOYSA-N
Mol Weight 124.18 g/mol
Molecular Formula C8H12O
Exact Mass 124.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71SWkhjEiwO
Name 4,5-dimethylcyclohex-2-en-1-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O
InChI InChI=1S/C8H12O/c1-6-3-4-8(9)5-7(6)2/h3-4,6-7H,5H2,1-2H3
InChIKey XADBPCVQACZOEL-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 124.183 g/mol
SMILES CC1C(C=CC(C1)=O)C
SPLASH splash10-0fsi-9100000000-2750e4d198de34f14058
Sample Comments Mixture of isomers
Source of Spectrum CN103535678A
Wiley ID 1848005