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N~2~,N~6~-bis(5-chloro-2-methoxyphenyl)-2,6-pyridinedicarboxamide
SpectraBase Compound ID DN5c9c4AiUW
InChI InChI=1S/C21H17Cl2N3O4/c1-29-18-8-6-12(22)10-16(18)25-20(27)14-4-3-5-15(24-14)21(28)26-17-11-13(23)7-9-19(17)30-2/h3-11H,1-2H3,(H,25,27)(H,26,28)
InChIKey PRPGFMGMZWQAKT-UHFFFAOYSA-N
Mol Weight 446.29 g/mol
Molecular Formula C21H17Cl2N3O4
Exact Mass 445.059611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5rdhtR2KQRm
Name N~2~,N~6~-bis(5-Chloro-2-methoxyphenyl)-2,6-pyridinedicarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 445.059611435 u
Formula C21H17Cl2N3O4
InChI InChI=1S/C21H17Cl2N3O4/c1-29-18-8-6-12(22)10-16(18)25-20(27)14-4-3-5-15(24-14)21(28)26-17-11-13(23)7-9-19(17)30-2/h3-11H,1-2H3,(H,25,27)(H,26,28)
InChIKey PRPGFMGMZWQAKT-UHFFFAOYSA-N
Molecular Weight 446.290 g/mol
SMILES N(C(C1=NC(C(NC2=CC(Cl)=CC=C2OC)=O)=CC=C1)=O)C1=CC(Cl)=CC=C1OC