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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl octyl ester
SpectraBase Compound ID ACoaiVbi4wH
InChI InChI=1S/C24H36O4/c1-4-5-6-7-8-11-16-27-23(25)21-12-9-10-13-22(21)24(26)28-20-15-14-18(2)19(3)17-20/h14-15,17,21-22H,4-13,16H2,1-3H3
InChIKey WIEMXNBZOSZKRV-UHFFFAOYSA-N
Mol Weight 388.5 g/mol
Molecular Formula C24H36O4
Exact Mass 388.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Sl6jgueJno
Name 1,2-Cyclohexanedicarboxylic acid, 3,4-dimethylphenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.261359635 u
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-4-5-6-7-8-11-16-27-23(25)21-12-9-10-13-22(21)24(26)28-20-15-14-18(2)19(3)17-20/h14-15,17,21-22H,4-13,16H2,1-3H3
InChIKey WIEMXNBZOSZKRV-UHFFFAOYSA-N
Molecular Weight 388.548 g/mol
SMILES C1CCCC(C1C(OCCCCCCCC)=O)C(=O)OC1=CC(=C(C=C1)C)C