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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl hexyl ester
SpectraBase Compound ID JITxOMwO4Ay
InChI InChI=1S/C22H32O6/c1-4-5-6-9-15-27-21(23)16-11-7-8-12-17(16)22(24)28-20-18(25-2)13-10-14-19(20)26-3/h10,13-14,16-17H,4-9,11-12,15H2,1-3H3
InChIKey FVTIQQVLQUWOJI-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C22H32O6
Exact Mass 392.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7bQzons6Sud
Name 1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.219888744 u
Formula C22H32O6
InChI InChI=1S/C22H32O6/c1-4-5-6-9-15-27-21(23)16-11-7-8-12-17(16)22(24)28-20-18(25-2)13-10-14-19(20)26-3/h10,13-14,16-17H,4-9,11-12,15H2,1-3H3
InChIKey FVTIQQVLQUWOJI-UHFFFAOYSA-N
Molecular Weight 392.492 g/mol
SMILES C1(=C(C=CC=C1OC)OC)OC(C1CCCCC1C(OCCCCCC)=O)=O