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1,2-Cyclohexanedicarboxylic acid, isobutyl 4-isopropylphenyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, isobutyl 4-isopropylphenyl ester
SpectraBase Compound ID AcWkGhnhe86
InChI InChI=1S/C21H30O4/c1-14(2)13-24-20(22)18-7-5-6-8-19(18)21(23)25-17-11-9-16(10-12-17)15(3)4/h9-12,14-15,18-19H,5-8,13H2,1-4H3
InChIKey CWPWPPKICOQQGS-UHFFFAOYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K4F8Sl8rjfH
Name 1,2-Cyclohexanedicarboxylic acid, isobutyl 4-isopropylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.214409442 u
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-14(2)13-24-20(22)18-7-5-6-8-19(18)21(23)25-17-11-9-16(10-12-17)15(3)4/h9-12,14-15,18-19H,5-8,13H2,1-4H3
InChIKey CWPWPPKICOQQGS-UHFFFAOYSA-N
Molecular Weight 346.467 g/mol
SMILES C1=C(C=CC(=C1)C(C)C)OC(C1CCCCC1C(OCC(C)C)=O)=O