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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl nonyl ester
SpectraBase Compound ID 2AVBncygf7q
InChI InChI=1S/C25H38O4/c1-4-5-6-7-8-9-12-17-28-24(26)22-13-10-11-14-23(22)25(27)29-21-16-15-19(2)20(3)18-21/h15-16,18,22-23H,4-14,17H2,1-3H3
InChIKey CSTZZUQRKPZWRS-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 QoRHUUagve
Name 1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.277009700 u
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-4-5-6-7-8-9-12-17-28-24(26)22-13-10-11-14-23(22)25(27)29-21-16-15-19(2)20(3)18-21/h15-16,18,22-23H,4-14,17H2,1-3H3
InChIKey CSTZZUQRKPZWRS-UHFFFAOYSA-N
Molecular Weight 402.575 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=CC(=C(C=C1)C)C)C(OCCCCCCCCC)=O