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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl heptyl ester
SpectraBase Compound ID CVgVUlaMYBn
InChI InChI=1S/C23H34O4/c1-4-5-6-7-10-15-26-22(24)20-11-8-9-12-21(20)23(25)27-19-14-13-17(2)18(3)16-19/h13-14,16,20-21H,4-12,15H2,1-3H3
InChIKey FVXOFHYZLLABDC-UHFFFAOYSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IhfeMLgR8IT
Name 1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-4-5-6-7-10-15-26-22(24)20-11-8-9-12-21(20)23(25)27-19-14-13-17(2)18(3)16-19/h13-14,16,20-21H,4-12,15H2,1-3H3
InChIKey FVXOFHYZLLABDC-UHFFFAOYSA-N
Molecular Weight 374.521 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=CC(=C(C=C1)C)C)C(OCCCCCCC)=O