| SpectraBase Compound ID | IYPUD7sZR6Z |
|---|---|
| InChI | InChI=1S/C13H12N4O2/c18-12(16-9-10-4-1-2-7-15-10)13(19)17-11-5-3-6-14-8-11/h1-8H,9H2,(H,16,18)(H,17,19) |
| InChIKey | INEWHQCSOVDHDC-UHFFFAOYSA-N |
| Mol Weight | 256.26 g/mol |
| Molecular Formula | C13H12N4O2 |
| Exact Mass | 256.096026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I6BSnxLyYY6 |
|---|---|
| Name | Ethanediamide, N~1~-(3-pyridinyl)-N~2~-(2-pyridinylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.096025640 u |
| Formula | C13H12N4O2 |
| InChI | InChI=1S/C13H12N4O2/c18-12(16-9-10-4-1-2-7-15-10)13(19)17-11-5-3-6-14-8-11/h1-8H,9H2,(H,16,18)(H,17,19) |
| InChIKey | INEWHQCSOVDHDC-UHFFFAOYSA-N |
| SMILES | N(C(C(NC=1C=NC=CC1)=O)=O)CC=1N=CC=CC1 |