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3-(2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)propanoic acid methyl ester
SpectraBase Compound ID EAJVtSbaIwz
InChI InChI=1S/C13H20O3/c1-9-7-10(14)8-13(2,3)11(9)5-6-12(15)16-4/h7,11H,5-6,8H2,1-4H3
InChIKey SGRHKYQPHXHOGC-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 2Cc1fCll2jm
Name 3-(2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)propanoic acid methyl ester
Alternate Name(s) 3-(4-keto-2,6,6-trimethyl-cyclohex-2-en-1-yl)propionic acid methyl ester Methyl 3-(2,6,6-trimethyl-4-oxidanylidene-cyclohex-2-en-1-yl)propanoate Methyl 3-(2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9-7-10(14)8-13(2,3)11(9)5-6-12(15)16-4/h7,11H,5-6,8H2,1-4H3
InChIKey SGRHKYQPHXHOGC-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C=1(C(C(C)(C)CC(C1)=O)CCC(=O)OC)C
SPLASH splash10-0l0l-7910000000-8cd002cd0a23312ede1e
Source of Spectrum KC-0-2404-28
Wiley ID 786429