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1,2-Cyclohexanedicarboxylic acid, 4-methoxyphenyl nonyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 4-methoxyphenyl nonyl ester
SpectraBase Compound ID 8jZ68AB4ZEu
InChI InChI=1S/C24H36O5/c1-3-4-5-6-7-8-11-18-28-23(25)21-12-9-10-13-22(21)24(26)29-20-16-14-19(27-2)15-17-20/h14-17,21-22H,3-13,18H2,1-2H3
InChIKey DPZOHMJPAVZHIJ-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C24H36O5
Exact Mass 404.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6zIxEtLskqB
Name 1,2-Cyclohexanedicarboxylic acid, 4-methoxyphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.256274254 u
Formula C24H36O5
InChI InChI=1S/C24H36O5/c1-3-4-5-6-7-8-11-18-28-23(25)21-12-9-10-13-22(21)24(26)29-20-16-14-19(27-2)15-17-20/h14-17,21-22H,3-13,18H2,1-2H3
InChIKey DPZOHMJPAVZHIJ-UHFFFAOYSA-N
Molecular Weight 404.547 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=CC=C(C=C1)OC)C(OCCCCCCCCC)=O