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1,2-Cyclohexanedicarboxylic acid, 4-isopropylphenyl octyl ester
SpectraBase Compound ID EGjXngTKdb0
InChI InChI=1S/C25H38O4/c1-4-5-6-7-8-11-18-28-24(26)22-12-9-10-13-23(22)25(27)29-21-16-14-20(15-17-21)19(2)3/h14-17,19,22-23H,4-13,18H2,1-3H3
InChIKey YQKUSWBUJLAWJU-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JIqvdkQTuJ
Name 1,2-Cyclohexanedicarboxylic acid, 4-isopropylphenyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.277009700 u
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-4-5-6-7-8-11-18-28-24(26)22-12-9-10-13-23(22)25(27)29-21-16-14-20(15-17-21)19(2)3/h14-17,19,22-23H,4-13,18H2,1-3H3
InChIKey YQKUSWBUJLAWJU-UHFFFAOYSA-N
Molecular Weight 402.575 g/mol
SMILES C1(=CC=C(C=C1)C(C)C)OC(C1CCCCC1C(OCCCCCCCC)=O)=O