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1,2-Cyclohexanedicarboxylic acid, hexyl 2-isopropylphenyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, hexyl 2-isopropylphenyl ester
SpectraBase Compound ID 8KE5RuF3Iiq
InChI InChI=1S/C23H34O4/c1-4-5-6-11-16-26-22(24)19-13-7-8-14-20(19)23(25)27-21-15-10-9-12-18(21)17(2)3/h9-10,12,15,17,19-20H,4-8,11,13-14,16H2,1-3H3
InChIKey PEQLTOOOUBCFSJ-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 1rKFRpEIwkh
Name 1,2-Cyclohexanedicarboxylic acid, hexyl 2-isopropylphenyl 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/c1-4-5-6-11-16-26-22(24)19-13-7-8-14-20(19)23(25)27-21-15-10-9-12-18(21)17(2)3/h9-10,12,15,17,19-20H,4-8,11,13-14,16H2,1-3H3
InChIKey PEQLTOOOUBCFSJ-UHFFFAOYSA-N
Molecular Weight 374.521 g/mol
SMILES C1CCCC(C1C(OCCCCCC)=O)C(=O)OC1=C(C=CC=C1)C(C)C