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2-Pyridinecarboxylic acid, 4-[3,4-dimethoxy-2-(phenylmethoxy)phenyl]-3,6-dimethyl-, methyl ester
SpectraBase Compound ID CjFrBDr6TAB
InChI InChI=1S/C24H25NO5/c1-15-13-19(16(2)21(25-15)24(26)29-5)18-11-12-20(27-3)23(28-4)22(18)30-14-17-9-7-6-8-10-17/h6-13H,14H2,1-5H3
InChIKey SQBQMYCEAYIIAE-UHFFFAOYSA-N
Mol Weight 407.47 g/mol
Molecular Formula C24H25NO5
Exact Mass 407.173273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3S2nJn2idY8
Name 2-Pyridinecarboxylic acid, 4-[3,4-dimethoxy-2-(phenylmethoxy)phenyl]-3,6-dimethyl-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 407.173272904 u
Formula C24H25NO5
InChI InChI=1S/C24H25NO5/c1-15-13-19(16(2)21(25-15)24(26)29-5)18-11-12-20(27-3)23(28-4)22(18)30-14-17-9-7-6-8-10-17/h6-13H,14H2,1-5H3
InChIKey SQBQMYCEAYIIAE-UHFFFAOYSA-N
Molecular Weight 407.466 g/mol
SMILES C1(C=2C(=C(OC)C(=CC2)OC)OCC2=CC=CC=C2)=C(C(C(=O)OC)=NC(=C1)C)C