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2-Cyclohexene-1-carboxylic acid, 2-butyl-4-oxo-, ethyl ester
SpectraBase Compound ID JlO4WFh3K9s
InChI InChI=1S/C13H20O3/c1-3-5-6-10-9-11(14)7-8-12(10)13(15)16-4-2/h9,12H,3-8H2,1-2H3
InChIKey BCUKQEHUPIYOKF-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 6dk8nUCjkWO
Name 2-Cyclohexene-1-carboxylic acid, 2-butyl-4-oxo-, ethyl ester
Alternate Name(s) 2-Butyl-1-carbethoxy-4-oxo-2-cyclohexene Ethyl 2-butyl-4-oxo-2-cyclohexene-1-carboxylate 2-Butyl-4-oxo-1-cyclohex-2-enecarboxylic acid ethyl ester Ethyl 2-butyl-4-oxocyclohex-2-ene-1-carboxylate Ethyl 2-butyl-4-oxo-cyclohex-2-ene-1-carboxylate Ethyl 2-butyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate
CAS Registry Number 78601-38-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-3-5-6-10-9-11(14)7-8-12(10)13(15)16-4-2/h9,12H,3-8H2,1-2H3
InChIKey BCUKQEHUPIYOKF-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C=1(C(C(=O)OCC)CCC(C1)=O)CCCC
SPLASH splash10-0udi-0920000000-27796095bcb38e06866a
Source of Spectrum F-37-1035-0
Wiley ID 1225226