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1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-3-oxo-, ethyl ester
SpectraBase Compound ID HdgtSweTjOO
InChI InChI=1S/C12H18O3/c1-5-15-11(14)10-8(2)9(13)6-7-12(10,3)4/h5-7H2,1-4H3
InChIKey JVQVWBASBXLDAQ-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3AaPsmSF5a
Name 1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-3-oxo-, ethyl ester
Alternate Name(s) Ethyl 2,6,6-trimethyl-3-oxo-1-cyclohexene-1-carboxylate 2,6,6-trimethyl-3-oxo-1-cyclohexenecarboxylic acid ethyl ester 3-keto-2,6,6-trimethyl-cyclohexene-1-carboxylic acid ethyl ester Ethyl 2,6,6-trimethyl-3-oxidanylidene-cyclohexene-1-carboxylate Ethyl 2,6,6-trimethyl-3-oxo-cyclohexene-1-carboxylate
CAS Registry Number 96850-02-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-5-15-11(14)10-8(2)9(13)6-7-12(10,3)4/h5-7H2,1-4H3
InChIKey JVQVWBASBXLDAQ-UHFFFAOYSA-N
Molecular Weight 210.273 g/mol
SMILES C1(CCC(C(=C1C(OCC)=O)C)=O)(C)C
SPLASH splash10-029l-8920000000-164bb6f2e566a62cf697
Source of Spectrum J-52-1988-9
Wiley ID 1209242