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3,5-Pyridinedicarboxylic acid, 4-(3,4-dimethoxyphenyl)-1,4-dihydro-1-(2-methoxy-2-oxoethyl)-, dimethyl ester
SpectraBase Compound ID JTb3VCibypU
InChI InChI=1S/C20H23NO8/c1-25-15-7-6-12(8-16(15)26-2)18-13(19(23)28-4)9-21(11-17(22)27-3)10-14(18)20(24)29-5/h6-10,18H,11H2,1-5H3
InChIKey FEBWRLKLKCQEHM-UHFFFAOYSA-N
Mol Weight 405.4 g/mol
Molecular Formula C20H23NO8
Exact Mass 405.142367 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16xbmU5FMcf
Name 3,5-Pyridinedicarboxylic acid, 4-(3,4-dimethoxyphenyl)-1,4-dihydro-1-(2-methoxy-2-oxoethyl)-, dimethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 405.142366697 u
Formula C20H23NO8
InChI InChI=1S/C20H23NO8/c1-25-15-7-6-12(8-16(15)26-2)18-13(19(23)28-4)9-21(11-17(22)27-3)10-14(18)20(24)29-5/h6-10,18H,11H2,1-5H3
InChIKey FEBWRLKLKCQEHM-UHFFFAOYSA-N
Molecular Weight 405.403 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)CC(=O)OC)C=1C=C(OC)C(=CC1)OC)C(=O)OC