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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl isobutyl ester
SpectraBase Compound ID I3LuYycgIat
InChI InChI=1S/C20H28O6/c1-13(2)12-25-19(21)14-8-5-6-9-15(14)20(22)26-18-16(23-3)10-7-11-17(18)24-4/h7,10-11,13-15H,5-6,8-9,12H2,1-4H3
InChIKey PIRZCCPJHXBJOA-UHFFFAOYSA-N
Mol Weight 364.44 g/mol
Molecular Formula C20H28O6
Exact Mass 364.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EOSEyBQyxVM
Name 1,2-Cyclohexanedicarboxylic acid, 2,6-dimethoxyphenyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 364.188588616 u
Formula C20H28O6
InChI InChI=1S/C20H28O6/c1-13(2)12-25-19(21)14-8-5-6-9-15(14)20(22)26-18-16(23-3)10-7-11-17(18)24-4/h7,10-11,13-15H,5-6,8-9,12H2,1-4H3
InChIKey PIRZCCPJHXBJOA-UHFFFAOYSA-N
Molecular Weight 364.438 g/mol
SMILES C1(=C(C=CC=C1OC)OC)OC(C1CCCCC1C(OCC(C)C)=O)=O