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1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl isobutyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl isobutyl ester
SpectraBase Compound ID 9C5YhmGDmi9
InChI InChI=1S/C20H28O4/c1-13(2)12-23-19(21)17-7-5-6-8-18(17)20(22)24-16-10-9-14(3)15(4)11-16/h9-11,13,17-18H,5-8,12H2,1-4H3
InChIKey RRDCXRSOPFFMCO-UHFFFAOYSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 846FgS3CQCG
Name 1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl isobutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.198759378 u
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-13(2)12-23-19(21)17-7-5-6-8-18(17)20(22)24-16-10-9-14(3)15(4)11-16/h9-11,13,17-18H,5-8,12H2,1-4H3
InChIKey RRDCXRSOPFFMCO-UHFFFAOYSA-N
Molecular Weight 332.440 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=CC(=C(C=C1)C)C)C(OCC(C)C)=O