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2-ethyl-5-isopropylcyclohex-2-en-1-one
SpectraBase Compound ID BpUcj11FNxc
InChI InChI=1S/C11H18O/c1-4-9-5-6-10(8(2)3)7-11(9)12/h5,8,10H,4,6-7H2,1-3H3
InChIKey VUVALZWSDDXTBH-UHFFFAOYSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AoIJHL5twKN
Name 2-ethyl-5-isopropylcyclohex-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O
InChI InChI=1S/C11H18O/c1-4-9-5-6-10(8(2)3)7-11(9)12/h5,8,10H,4,6-7H2,1-3H3
InChIKey VUVALZWSDDXTBH-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 166.264 g/mol
SMILES C(C)C=1C(CC(CC1)C(C)C)=O
SPLASH splash10-05mk-9400000000-b7fddb0d9bfe3abbed2d
Sample Comments Mixture of isomers
Source of Spectrum CN103535678A
Wiley ID 1848036