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1,2-Cyclohexanedicarboxylic acid, hexadecyl 2-methylbutyl ester

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1,2-Cyclohexanedicarboxylic acid, hexadecyl 2-methylbutyl ester
SpectraBase Compound ID 1G7e4VKWj8y
InChI InChI=1S/C29H54O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-32-28(30)26-21-18-19-22-27(26)29(31)33-24-25(3)5-2/h25-27H,4-24H2,1-3H3
InChIKey ZAXSDNAEFZNOQN-UHFFFAOYSA-N
Mol Weight 466.7 g/mol
Molecular Formula C29H54O4
Exact Mass 466.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID e9IXwg5htD
Name 1,2-Cyclohexanedicarboxylic acid, hexadecyl 2-methylbutyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.402210215 u
Formula C29H54O4
InChI InChI=1S/C29H54O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-32-28(30)26-21-18-19-22-27(26)29(31)33-24-25(3)5-2/h25-27H,4-24H2,1-3H3
InChIKey ZAXSDNAEFZNOQN-UHFFFAOYSA-N
Molecular Weight 466.747 g/mol
SMILES CCCCCCCCCCCCCCCCOC(C1CCCCC1C(=O)OCC(CC)C)=O