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2,6-Pyridinedicarboxylic acid, di(2-methoxyphenyl) ester
SpectraBase Compound ID 7EhJ8cz1Pjp
InChI InChI=1S/C21H17NO6/c1-25-16-10-3-5-12-18(16)27-20(23)14-8-7-9-15(22-14)21(24)28-19-13-6-4-11-17(19)26-2/h3-13H,1-2H3
InChIKey UADMVHIJMDNHEN-UHFFFAOYSA-N
Mol Weight 379.37 g/mol
Molecular Formula C21H17NO6
Exact Mass 379.105587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LF3TtHUPCkH
Name 2,6-Pyridinedicarboxylic acid, di(2-methoxyphenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 379.105587265 u
Formula C21H17NO6
InChI InChI=1S/C21H17NO6/c1-25-16-10-3-5-12-18(16)27-20(23)14-8-7-9-15(22-14)21(24)28-19-13-6-4-11-17(19)26-2/h3-13H,1-2H3
InChIKey UADMVHIJMDNHEN-UHFFFAOYSA-N
Molecular Weight 379.368 g/mol
SMILES C1=CC=C(C(=C1)OC(C1=NC(C(OC2=C(OC)C=CC=C2)=O)=CC=C1)=O)OC