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2-Cyclohexen-1-one, 6-[3-(acetyloxy)-1-methylpropyl]-3-methyl-
SpectraBase Compound ID Do1m1R39odZ
InChI InChI=1S/C13H20O3/c1-9-4-5-12(13(15)8-9)10(2)6-7-16-11(3)14/h8,10,12H,4-7H2,1-3H3
InChIKey UICMPCKQBBYKCA-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HhHLJyIta4M
Name 2-Cyclohexen-1-one, 6-[3-(acetyloxy)-1-methylpropyl]-3-methyl-
Alternate Name(s) 3-(4-Methyl-2-oxo-3-cyclohexen-1-yl)butyl acetate Acetic acid 3-(4-methyl-2-oxo-1-cyclohex-3-enyl)butyl ester 3-(4-Methyl-2-oxocyclohex-3-en-1-yl)butyl acetate 3-(4-Methyl-2-oxo-cyclohex-3-en-1-yl)butyl acetate 3-(4-Methyl-2-oxidanylidene-cyclohex-3-en-1-yl)butyl ethanoate
CAS Registry Number 77573-51-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9-4-5-12(13(15)8-9)10(2)6-7-16-11(3)14/h8,10,12H,4-7H2,1-3H3
InChIKey UICMPCKQBBYKCA-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C1(C=C(C)CCC1C(CCOC(=O)C)C)=O
SPLASH splash10-03dl-6900000000-b45e37fa0576f99133d9
Source of Spectrum W5-0-0-0
Wiley ID 1225224