| SpectraBase Compound ID | 8DkY5C5UkmJ |
|---|---|
| InChI | InChI=1S/C18H12N2O4/c21-17(13-5-9-19-10-6-13)23-15-3-1-2-4-16(15)24-18(22)14-7-11-20-12-8-14/h1-12H |
| InChIKey | QDVMDPLHTYQYPW-UHFFFAOYSA-N |
| Mol Weight | 320.3 g/mol |
| Molecular Formula | C18H12N2O4 |
| Exact Mass | 320.079707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J88qPFOvtXq |
|---|---|
| Name | 1,2-Benzenediol, o,o'-diisonicotinoyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.079706870 u |
| Formula | C18H12N2O4 |
| InChI | InChI=1S/C18H12N2O4/c21-17(13-5-9-19-10-6-13)23-15-3-1-2-4-16(15)24-18(22)14-7-11-20-12-8-14/h1-12H |
| InChIKey | QDVMDPLHTYQYPW-UHFFFAOYSA-N |
| Molecular Weight | 320.304 g/mol |
| SMILES | C1(=CC=CC=C1OC(=O)C1=CC=NC=C1)OC(=O)C1=CC=NC=C1 |