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1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl heptyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl heptyl ester
SpectraBase Compound ID CUaK01P0yFW
InChI InChI=1S/C23H34O4/c1-4-5-6-7-10-13-26-22(24)20-11-8-9-12-21(20)23(25)27-19-15-17(2)14-18(3)16-19/h14-16,20-21H,4-13H2,1-3H3
InChIKey QHTQMYRAFMGSMP-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 EKL6kt39azl
Name 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylphenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-4-5-6-7-10-13-26-22(24)20-11-8-9-12-21(20)23(25)27-19-15-17(2)14-18(3)16-19/h14-16,20-21H,4-13H2,1-3H3
InChIKey QHTQMYRAFMGSMP-UHFFFAOYSA-N
Molecular Weight 374.521 g/mol
SMILES C1(=CC(=CC(=C1)C)C)OC(C1CCCCC1C(OCCCCCCC)=O)=O