| SpectraBase Compound ID | J1orhmyarTn |
|---|---|
| InChI | InChI=1S/C12H12N4O4/c1-2-3-4-5-8-13-14-11-7-6-10(15(17)18)9-12(11)16(19)20/h2-9,14H,1H3/b3-2+,5-4+,13-8+ |
| InChIKey | ATOVOTIRPYYIJX-UQKGDIFTSA-N |
| Mol Weight | 276.25 g/mol |
| Molecular Formula | C12H12N4O4 |
| Exact Mass | 276.085855 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4sgsais04FC |
|---|---|
| Name | 2,4-Hexadienal, (2,4-dinitrophenyl)hydrazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.085854878 u |
| Formula | C12H12N4O4 |
| InChI | InChI=1S/C12H12N4O4/c1-2-3-4-5-8-13-14-11-7-6-10(15(17)18)9-12(11)16(19)20/h2-9,14H,1H3/b3-2+,5-4+,13-8+ |
| InChIKey | ATOVOTIRPYYIJX-UQKGDIFTSA-N |
| SMILES | C1(N(=O)=O)=C(N\N=C\C=C\C=C\C)C=CC(=C1)N(=O)=O |