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3-Cyclohexene-1-carboxylic acid, 3,4-dimethyl-6-(4-methylbenzoyl)-

View entire compound with spectra: 2 NMR

3-Cyclohexene-1-carboxylic acid, 3,4-dimethyl-6-(4-methylbenzoyl)-
SpectraBase Compound ID LBImoVnrhP2
InChI InChI=1S/C17H20O3/c1-10-4-6-13(7-5-10)16(18)14-8-11(2)12(3)9-15(14)17(19)20/h4-7,14-15H,8-9H2,1-3H3,(H,19,20)
InChIKey LSCGIYLABOLXML-UHFFFAOYSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bh8MFFZZScw
Name 3-Cyclohexene-1-carboxylic acid, 3,4-dimethyl-6-(4-methylbenzoyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.141244501 u
Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-10-4-6-13(7-5-10)16(18)14-8-11(2)12(3)9-15(14)17(19)20/h4-7,14-15H,8-9H2,1-3H3,(H,19,20)
InChIKey LSCGIYLABOLXML-UHFFFAOYSA-N
Molecular Weight 272.344 g/mol
SMILES OC(C1C(C(C2=CC=C(C=C2)C)=O)CC(=C(C)C1)C)=O