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1,2-Cyclohexanedicarboxylic acid, 2-methylcyclohexyl tetradecyl ester

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

1,2-Cyclohexanedicarboxylic acid, 2-methylcyclohexyl tetradecyl ester
SpectraBase Compound ID A5QS7zBCyIi
InChI InChI=1S/C29H52O4/c1-3-4-5-6-7-8-9-10-11-12-13-18-23-32-28(30)25-20-15-16-21-26(25)29(31)33-27-22-17-14-19-24(27)2/h24-27H,3-23H2,1-2H3
InChIKey CJGBNZHINCEPFU-UHFFFAOYSA-N
Mol Weight 464.7 g/mol
Molecular Formula C29H52O4
Exact Mass 464.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EOX8l55K0eC
Name 1,2-Cyclohexanedicarboxylic acid, 2-methylcyclohexyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 464.386560150 u
Formula C29H52O4
InChI InChI=1S/C29H52O4/c1-3-4-5-6-7-8-9-10-11-12-13-18-23-32-28(30)25-20-15-16-21-26(25)29(31)33-27-22-17-14-19-24(27)2/h24-27H,3-23H2,1-2H3
InChIKey CJGBNZHINCEPFU-UHFFFAOYSA-N
Molecular Weight 464.731 g/mol
SMILES C1(C(CCCC1)C)OC(C1CCCCC1C(OCCCCCCCCCCCCCC)=O)=O