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2,6-Pyridinedicarboxylic acid, diphenethyl ester
SpectraBase Compound ID 4y4oG6n5HmH
InChI InChI=1S/C23H21NO4/c25-22(27-16-14-18-8-3-1-4-9-18)20-12-7-13-21(24-20)23(26)28-17-15-19-10-5-2-6-11-19/h1-13H,14-17H2
InChIKey RRGBJJFILZVCBH-UHFFFAOYSA-N
Mol Weight 375.42 g/mol
Molecular Formula C23H21NO4
Exact Mass 375.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID UppR6zoFjo
Name 2,6-Pyridinedicarboxylic acid, diphenethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.147058156 u
Formula C23H21NO4
InChI InChI=1S/C23H21NO4/c25-22(27-16-14-18-8-3-1-4-9-18)20-12-7-13-21(24-20)23(26)28-17-15-19-10-5-2-6-11-19/h1-13H,14-17H2
InChIKey RRGBJJFILZVCBH-UHFFFAOYSA-N
Molecular Weight 375.424 g/mol
SMILES C1=CC=CC(=C1)CCOC(C1=NC(C(OCCC2=CC=CC=C2)=O)=CC=C1)=O