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2-Cyclohexen-1-one, 3-hydroxy-5-(1-methylethyl)-2-(2-methylpropyl)-, (.+-.)-
SpectraBase Compound ID Av6Em8O0Rzn
InChI InChI=1S/C13H22O2/c1-8(2)5-11-12(14)6-10(9(3)4)7-13(11)15/h8-10,14H,5-7H2,1-4H3
InChIKey LOQLOJZXONMNRS-UHFFFAOYSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3O8z0JX5A6u
Name 2-Cyclohexen-1-one, 3-hydroxy-5-(1-methylethyl)-2-(2-methylpropyl)-, (.+-.)-
Alternate Name(s) 3-Hydroxy-2-isobutyl-5-isopropyl-2-cyclohexen-1-one 3-Hydroxy-5-isopropyl-2-(2-methylpropyl)-2-cyclohexen-1-one
CAS Registry Number 79862-26-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-8(2)5-11-12(14)6-10(9(3)4)7-13(11)15/h8-10,14H,5-7H2,1-4H3
InChIKey LOQLOJZXONMNRS-UHFFFAOYSA-N
Molecular Weight 210.317 g/mol
SMILES OC1=C(C(CC(C(C)C)C1)=O)CC(C)C
SPLASH splash10-0aov-9600000000-0714c11f8b84a8f3aae2
Source of Spectrum H-64-1494-0
Wiley ID 1209481