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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 4-methoxyphenyl octyl ester
SpectraBase Compound ID H6AvdGF70pu
InChI InChI=1S/C23H34O5/c1-3-4-5-6-7-10-17-27-22(24)20-11-8-9-12-21(20)23(25)28-19-15-13-18(26-2)14-16-19/h13-16,20-21H,3-12,17H2,1-2H3
InChIKey UXGIHDAUTYRYBD-UHFFFAOYSA-N
Mol Weight 390.5 g/mol
Molecular Formula C23H34O5
Exact Mass 390.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FFO7yI7iLwf
Name 1,2-Cyclohexanedicarboxylic acid, 4-methoxyphenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 390.240624190 u
Formula C23H34O5
InChI InChI=1S/C23H34O5/c1-3-4-5-6-7-10-17-27-22(24)20-11-8-9-12-21(20)23(25)28-19-15-13-18(26-2)14-16-19/h13-16,20-21H,3-12,17H2,1-2H3
InChIKey UXGIHDAUTYRYBD-UHFFFAOYSA-N
Molecular Weight 390.520 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=CC=C(C=C1)OC)C(OCCCCCCCC)=O