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Cyclohexanone, 2-[3-(acetyloxy)-1-methylpropyl]-5-methyl-
SpectraBase Compound ID K6OFy2VGLpP
InChI InChI=1S/C13H22O3/c1-9-4-5-12(13(15)8-9)10(2)6-7-16-11(3)14/h9-10,12H,4-8H2,1-3H3
InChIKey BFBQXRPYXKVBNE-UHFFFAOYSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A9oImoub7pg
Name Cyclohexanone, 2-[3-(acetyloxy)-1-methylpropyl]-5-methyl-
Alternate Name(s) 3-(4-Methyl-2-oxocyclohexyl)butyl acetate Acetic acid 3-(4-methyl-2-oxocyclohexyl)butyl ester 3-(4-Methyl-2-oxo-cyclohexyl)butyl acetate 3-(4-Methyl-2-oxidanylidene-cyclohexyl)butyl ethanoate
CAS Registry Number 62048-31-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-9-4-5-12(13(15)8-9)10(2)6-7-16-11(3)14/h9-10,12H,4-8H2,1-3H3
InChIKey BFBQXRPYXKVBNE-UHFFFAOYSA-N
Molecular Weight 226.316 g/mol
SMILES C1(C(CCC(C1)C)C(CCOC(=O)C)C)=O
SPLASH splash10-0odo-5900000000-242446cf64fe166d7141
Source of Spectrum H-59-710-33
Wiley ID 1227542