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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, butyl 2,6-dimethoxyphenyl ester
SpectraBase Compound ID Ik9H7oQ7fu1
InChI InChI=1S/C20H28O6/c1-4-5-13-25-19(21)14-9-6-7-10-15(14)20(22)26-18-16(23-2)11-8-12-17(18)24-3/h8,11-12,14-15H,4-7,9-10,13H2,1-3H3
InChIKey LKKZWDBWXMCOIG-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 5kF2RtUIKG0
Name 1,2-Cyclohexanedicarboxylic acid, butyl 2,6-dimethoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 364.188588616 u
Formula C20H28O6
InChI InChI=1S/C20H28O6/c1-4-5-13-25-19(21)14-9-6-7-10-15(14)20(22)26-18-16(23-2)11-8-12-17(18)24-3/h8,11-12,14-15H,4-7,9-10,13H2,1-3H3
InChIKey LKKZWDBWXMCOIG-UHFFFAOYSA-N
Molecular Weight 364.438 g/mol
SMILES CCCCOC(C1C(C(=O)OC2=C(C=CC=C2OC)OC)CCCC1)=O