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1,2-Cyclohexanedicarboxylic acid, isobutyl tetradecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

1,2-Cyclohexanedicarboxylic acid, isobutyl tetradecyl ester
SpectraBase Compound ID 8HvMAiLuEYy
InChI InChI=1S/C26H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-29-25(27)23-18-15-16-19-24(23)26(28)30-21-22(2)3/h22-24H,4-21H2,1-3H3
InChIKey HNIYTQZUWSFMTE-UHFFFAOYSA-N
Mol Weight 424.7 g/mol
Molecular Formula C26H48O4
Exact Mass 424.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CNJCqNWqvH0
Name 1,2-Cyclohexanedicarboxylic acid, isobutyl tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.355260022 u
Formula C26H48O4
InChI InChI=1S/C26H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-29-25(27)23-18-15-16-19-24(23)26(28)30-21-22(2)3/h22-24H,4-21H2,1-3H3
InChIKey HNIYTQZUWSFMTE-UHFFFAOYSA-N
Molecular Weight 424.666 g/mol
SMILES C(C1CCCCC1C(OCCCCCCCCCCCCCC)=O)(=O)OCC(C)C