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1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl octyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl octyl ester
SpectraBase Compound ID 7DQxjGtwOIF
InChI InChI=1S/C24H36O6/c1-4-5-6-7-8-11-17-29-23(25)18-13-9-10-14-19(18)24(26)30-22-20(27-2)15-12-16-21(22)28-3/h12,15-16,18-19H,4-11,13-14,17H2,1-3H3
InChIKey JGABBUKGJHSTSK-UHFFFAOYSA-N
Mol Weight 420.5 g/mol
Molecular Formula C24H36O6
Exact Mass 420.251189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Ep8lN3ROHI
Name 1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 420.251188873 u
Formula C24H36O6
InChI InChI=1S/C24H36O6/c1-4-5-6-7-8-11-17-29-23(25)18-13-9-10-14-19(18)24(26)30-22-20(27-2)15-12-16-21(22)28-3/h12,15-16,18-19H,4-11,13-14,17H2,1-3H3
InChIKey JGABBUKGJHSTSK-UHFFFAOYSA-N
Molecular Weight 420.546 g/mol
SMILES C1(=C(C(=CC=C1)OC)OC(C1CCCCC1C(OCCCCCCCC)=O)=O)OC