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1-Acetoxy-4-propyl-5,5-dimethylcyclohexen-3-one
SpectraBase Compound ID 7PJdOLCxxRj
InChI InChI=1S/C13H20O3/c1-5-6-11-12(15)7-10(16-9(2)14)8-13(11,3)4/h7,11H,5-6,8H2,1-4H3
InChIKey UERJEKLCZBCMAW-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 H9E5gxEMfix
Name 1-Acetoxy-4-propyl-5,5-dimethylcyclohexen-3-one
Alternate Name(s) 5,5-Dimethyl-3-oxo-4-propyl-1-cyclohexen-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-5-6-11-12(15)7-10(16-9(2)14)8-13(11,3)4/h7,11H,5-6,8H2,1-4H3
InChIKey UERJEKLCZBCMAW-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C1(=CC(C(C(C1)(C)C)CCC)=O)OC(=O)C
SPLASH splash10-002f-0900000000-6e572c7b159726482206
Source of Spectrum SO-0-479-3
Wiley ID 1538899