| SpectraBase Compound ID | 2w2XzIlrXPj |
|---|---|
| InChI | InChI=1S/C11H13N3O4/c1-8(7-11(15)18-2)12-13-9-3-5-10(6-4-9)14(16)17/h3-6,13H,7H2,1-2H3/b12-8+ |
| InChIKey | NTLPGKNLELKALA-XYOKQWHBSA-N |
| Mol Weight | 251.24 g/mol |
| Molecular Formula | C11H13N3O4 |
| Exact Mass | 251.090606 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FrZ3dLH03za |
|---|---|
| Name | Acetoacetic acid, methyl ester, p-dinitrophenylhydrazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.090605907 u |
| Formula | C11H13N3O4 |
| InChI | InChI=1S/C11H13N3O4/c1-8(7-11(15)18-2)12-13-9-3-5-10(6-4-9)14(16)17/h3-6,13H,7H2,1-2H3/b12-8+ |
| InChIKey | NTLPGKNLELKALA-XYOKQWHBSA-N |
| Molecular Weight | 251.242 g/mol |
| SMILES | N(=O)(=O)C=1C=CC(=CC1)N\N=C\(CC(OC)=O)C |