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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1x1ZDxlLRyS
Name 3-OXO-2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-CARBOXYLIC ACID
Source of Sample A. Hardt, W. Bremser BASF Ludwigshafen (1981)
CAS Registry Number 51823-74-6
Copyright Copyright © 1980, 1981-2024 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 182.22
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WM-360
Synonyms 1-CYCLOHEXENE-1-CARBOXYLIC ACID, 3-OXO-2,6,6-TRIMETHYL-,