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4-Isopropyl-1-methyl-3-oxocyclohexyl acetate
SpectraBase Compound ID CIau8IrZOdy
InChI InChI=1S/C12H20O3/c1-8(2)10-5-6-12(4,7-11(10)14)15-9(3)13/h8,10H,5-7H2,1-4H3
InChIKey HSDAHIORJOTSNZ-UHFFFAOYSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6RCxFV2N0sW
Name 4-Isopropyl-1-methyl-3-oxocyclohexyl acetate
Alternate Name(s) (1-methyl-3-oxidanylidene-4-propan-2-yl-cyclohexyl) ethanoate (1-methyl-3-oxo-4-propan-2-ylcyclohexyl) acetate 1-Acetoxy-p-menth-3-one Acetic acid (1-methyl-3-oxo-4-propan-2-ylcyclohexyl) ester Acetic acid (4-isopropyl-3-keto-1-methyl-cyclohexyl) ester
CAS Registry Number 58315-85-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-8(2)10-5-6-12(4,7-11(10)14)15-9(3)13/h8,10H,5-7H2,1-4H3
InChIKey HSDAHIORJOTSNZ-UHFFFAOYSA-N
Molecular Weight 212.289 g/mol
SMILES C1(CCC(CC1=O)(C)OC(=O)C)C(C)C
SPLASH splash10-01px-9300000000-ec652d5f6468da5537d8
Source of Spectrum W5-1989-7127-1
Wiley ID 1211481