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3,5-Pyridinedicarboxylic acid, 4-[3-[(2-furanylcarbonyl)amino]phenyl]-2,6-dimethyl-, dimethyl ester
SpectraBase Compound ID HZ9HtG1xLvy
InChI InChI=1S/C22H20N2O6/c1-12-17(21(26)28-3)19(18(13(2)23-12)22(27)29-4)14-7-5-8-15(11-14)24-20(25)16-9-6-10-30-16/h5-11H,1-4H3,(H,24,25)
InChIKey IUGNGUSVDCONTB-UHFFFAOYSA-N
Mol Weight 408.41 g/mol
Molecular Formula C22H20N2O6
Exact Mass 408.132136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I6paFHIv01l
Name 3,5-Pyridinedicarboxylic acid, 4-[3-[(2-furanylcarbonyl)amino]phenyl]-2,6-dimethyl-, dimethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.132136366 u
Formula C22H20N2O6
InChI InChI=1S/C22H20N2O6/c1-12-17(21(26)28-3)19(18(13(2)23-12)22(27)29-4)14-7-5-8-15(11-14)24-20(25)16-9-6-10-30-16/h5-11H,1-4H3,(H,24,25)
InChIKey IUGNGUSVDCONTB-UHFFFAOYSA-N
Molecular Weight 408.410 g/mol
SMILES C=1(C(C(OC)=O)=C(C(=C(N1)C)C(=O)OC)C1=CC(=CC=C1)NC(C=1OC=CC1)=O)C