| SpectraBase Compound ID | 1psYEdYnQrU |
|---|---|
| InChI | InChI=1S/C15H12N4O4/c20-14(17-12-7-2-1-3-8-12)15(21)18-16-10-11-6-4-5-9-13(11)19(22)23/h1-10H,(H,17,20)(H,18,21)/b16-10+ |
| InChIKey | BTSDUACQVYCFJO-MHWRWJLKSA-N |
| Mol Weight | 312.28 g/mol |
| Molecular Formula | C15H12N4O4 |
| Exact Mass | 312.085855 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Mezy2dP9q1 |
|---|---|
| Name | o-Nitrobenzaldehyde, 5-phenylsemioxamazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.085854878 u |
| Formula | C15H12N4O4 |
| InChI | InChI=1S/C15H12N4O4/c20-14(17-12-7-2-1-3-8-12)15(21)18-16-10-11-6-4-5-9-13(11)19(22)23/h1-10H,(H,17,20)(H,18,21)/b16-10+ |
| InChIKey | BTSDUACQVYCFJO-MHWRWJLKSA-N |
| Molecular Weight | 312.285 g/mol |
| SMILES | N(\N=C\C=1C=CC=CC1N(=O)=O)C(C(NC=1C=CC=CC1)=O)=O |