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1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl undecyl ester

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1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl undecyl ester
SpectraBase Compound ID Co943YOIbWY
InChI InChI=1S/C27H42O4/c1-4-5-6-7-8-9-10-11-14-19-30-26(28)24-15-12-13-16-25(24)27(29)31-23-18-17-21(2)22(3)20-23/h17-18,20,24-25H,4-16,19H2,1-3H3
InChIKey VQYSTPMTJLUTEP-UHFFFAOYSA-N
Mol Weight 430.6 g/mol
Molecular Formula C27H42O4
Exact Mass 430.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID By2zPf6fsaM
Name 1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.308309828 u
Formula C27H42O4
InChI InChI=1S/C27H42O4/c1-4-5-6-7-8-9-10-11-14-19-30-26(28)24-15-12-13-16-25(24)27(29)31-23-18-17-21(2)22(3)20-23/h17-18,20,24-25H,4-16,19H2,1-3H3
InChIKey VQYSTPMTJLUTEP-UHFFFAOYSA-N
Molecular Weight 430.629 g/mol
SMILES C1CCCC(C1C(OCCCCCCCCCCC)=O)C(=O)OC1=CC(=C(C=C1)C)C