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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl octyl ester
SpectraBase Compound ID FTOwPvLK3lZ
InChI InChI=1S/C24H36O4/c1-4-5-6-7-8-11-16-27-23(25)20-12-9-10-13-21(20)24(26)28-22-17-18(2)14-15-19(22)3/h14-15,17,20-21H,4-13,16H2,1-3H3
InChIKey AQVIMIIPNACRHC-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 D6RrlWCY4M1
Name 1,2-Cyclohexanedicarboxylic acid, 2,5-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)20-12-9-10-13-21(20)24(26)28-22-17-18(2)14-15-19(22)3/h14-15,17,20-21H,4-13,16H2,1-3H3
InChIKey AQVIMIIPNACRHC-UHFFFAOYSA-N
Molecular Weight 388.548 g/mol
SMILES C1(=CC(=CC=C1C)C)OC(C1CCCCC1C(OCCCCCCCC)=O)=O