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1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl dodecyl ester

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1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl dodecyl ester
SpectraBase Compound ID BDpGZMld3SX
InChI InChI=1S/C28H44O4/c1-4-5-6-7-8-9-10-11-12-15-20-31-27(29)24-16-13-14-17-25(24)28(30)32-26-21-22(2)18-19-23(26)3/h18-19,21,24-25H,4-17,20H2,1-3H3
InChIKey ODVZOVYJHMPYGG-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C28H44O4
Exact Mass 444.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4YRbVM16VmR
Name 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.323959893 u
Formula C28H44O4
InChI InChI=1S/C28H44O4/c1-4-5-6-7-8-9-10-11-12-15-20-31-27(29)24-16-13-14-17-25(24)28(30)32-26-21-22(2)18-19-23(26)3/h18-19,21,24-25H,4-17,20H2,1-3H3
InChIKey ODVZOVYJHMPYGG-UHFFFAOYSA-N
Molecular Weight 444.656 g/mol
SMILES C1(=CC(=CC=C1C)C)OC(C1CCCCC1C(OCCCCCCCCCCCC)=O)=O