![2,5-bis[(2-Pyridyl)amino]terephthalic acid](/api/spectrum/5Js7jqipelv/structure.png?h=300&w=458 "2,5-bis[(2-Pyridyl)amino]terephthalic acid")
| SpectraBase Compound ID | 9jOu0aRpsiP |
|---|---|
| InChI | InChI=1S/C18H14N4O4/c23-17(24)11-10-14(22-16-6-2-4-8-20-16)12(18(25)26)9-13(11)21-15-5-1-3-7-19-15/h1-10H,(H,19,21)(H,20,22)(H,23,24)(H,25,26) |
| InChIKey | BGSKJRMEMDUSAK-UHFFFAOYSA-N |
| Mol Weight | 350.33 g/mol |
| Molecular Formula | C18H14N4O4 |
| Exact Mass | 350.101505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Js7jqipelv |
|---|---|
| Name | 2,5-bis[(2-Pyridyl)amino]terephthalic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.101504943 u |
| Formula | C18H14N4O4 |
| InChI | InChI=1S/C18H14N4O4/c23-17(24)11-10-14(22-16-6-2-4-8-20-16)12(18(25)26)9-13(11)21-15-5-1-3-7-19-15/h1-10H,(H,19,21)(H,20,22)(H,23,24)(H,25,26) |
| InChIKey | BGSKJRMEMDUSAK-UHFFFAOYSA-N |
| SMILES | N(C=1C=C(C(=CC1C(O)=O)NC=1N=CC=CC1)C(O)=O)C=1C=CC=CN1 |