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Ethyl 3-(5,5-dimethyl-3-oxocyclohexenyl)propanoate
SpectraBase Compound ID Js1fatzXkLo
InChI InChI=1S/C13H20O3/c1-4-16-12(15)6-5-10-7-11(14)9-13(2,3)8-10/h7H,4-6,8-9H2,1-3H3
InChIKey TZPCPTKGCMWOSM-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 JLF8TiU1JJi
Name Ethyl 3-(5,5-dimethyl-3-oxocyclohexenyl)propanoate
Alternate Name(s) Ethyl 3-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-4-16-12(15)6-5-10-7-11(14)9-13(2,3)8-10/h7H,4-6,8-9H2,1-3H3
InChIKey TZPCPTKGCMWOSM-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C1(=CC(=O)CC(C1)(C)C)CCC(=O)OCC
SPLASH splash10-001i-0930000000-ddd00cd964b60dec751b
Source of Spectrum SO-0-1459-3
Wiley ID 875166