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3-OXO-2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-CARBOXYLIC ACID
SpectraBase Compound ID COUU8AwUPoG
InChI InChI=1S/C10H14O3/c1-6-7(11)4-5-10(2,3)8(6)9(12)13/h4-5H2,1-3H3,(H,12,13)
InChIKey NCJFEURQKCATER-UHFFFAOYSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B22Xr0NTzNo
Name 2,6,6-trimethyl-3-oxidanylidene-cyclohexene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-6-7(11)4-5-10(2,3)8(6)9(12)13/h4-5H2,1-3H3,(H,12,13)
InChIKey NCJFEURQKCATER-UHFFFAOYSA-N
Molecular Weight 182.219 g/mol
SMILES OC(C=1C(CCC(C1C)=O)(C)C)=O
SPLASH splash10-004l-9500000000-f9d75ff2e824344c7a43
Synonyms 2,6,6-Trimethyl-3-oxo-1-cyclohexene-1-carboxylic acid 2,6,6-trimethyl-3-oxo-1-cyclohexenecarboxylic acid 2,6,6-trimethyl-3-oxo-cyclohexene-1-carboxylic acid 3-keto-2,6,6-trimethyl-cyclohexene-1-carboxylic acid
Wiley ID 1471898