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2-Cyclohexen-1-one, 3-hydroxy-5-(1-methylethyl)-2-(2-propenyl)-, (.+-.)-
SpectraBase Compound ID 1JMt2KEUuLn
InChI InChI=1S/C12H18O2/c1-4-5-10-11(13)6-9(8(2)3)7-12(10)14/h4,8-9,13H,1,5-7H2,2-3H3
InChIKey MGVAJSYFTHMWIM-UHFFFAOYSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GF2h4e3FOII
Name 2-Cyclohexen-1-one, 3-hydroxy-5-(1-methylethyl)-2-(2-propenyl)-, (.+-.)-
Alternate Name(s) 2-Allyl-3-hydroxy-5-isopropyl-2-cyclohexen-1-one
CAS Registry Number 79862-20-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-4-5-10-11(13)6-9(8(2)3)7-12(10)14/h4,8-9,13H,1,5-7H2,2-3H3
InChIKey MGVAJSYFTHMWIM-UHFFFAOYSA-N
Molecular Weight 194.274 g/mol
SMILES OC1=C(C(CC(C(C)C)C1)=O)CC=C
SPLASH splash10-006w-9500000000-60c635d5cd5b36ced630
Source of Spectrum H-64-1493-0
Wiley ID 1190963