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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl pentyl ester
SpectraBase Compound ID 4oTYLdv5mW6
InChI InChI=1S/C21H30O6/c1-4-5-8-14-26-20(22)15-10-6-7-11-16(15)21(23)27-19-17(24-2)12-9-13-18(19)25-3/h9,12-13,15-16H,4-8,10-11,14H2,1-3H3
InChIKey BTHDSOSWIREZMB-UHFFFAOYSA-N
Mol Weight 378.47 g/mol
Molecular Formula C21H30O6
Exact Mass 378.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F1eHyOhzskL
Name 1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 378.204238680 u
Formula C21H30O6
InChI InChI=1S/C21H30O6/c1-4-5-8-14-26-20(22)15-10-6-7-11-16(15)21(23)27-19-17(24-2)12-9-13-18(19)25-3/h9,12-13,15-16H,4-8,10-11,14H2,1-3H3
InChIKey BTHDSOSWIREZMB-UHFFFAOYSA-N
Molecular Weight 378.465 g/mol
SMILES C1(=C(C=CC=C1OC)OC)OC(C1CCCCC1C(=O)OCCCCC)=O