| SpectraBase Compound ID | Fba0y0zkfV5 |
|---|---|
| InChI | InChI=1S/C13H16N4O6/c1-9(23-10(2)18)4-3-7-14-15-12-6-5-11(16(19)20)8-13(12)17(21)22/h5-9,15H,3-4H2,1-2H3/b14-7+ |
| InChIKey | FAYXRMQJCYWPOB-VGOFMYFVSA-N |
| Mol Weight | 324.29 g/mol |
| Molecular Formula | C13H16N4O6 |
| Exact Mass | 324.106984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5KIwIgNKSOB |
|---|---|
| Name | 2-Acetoxypentanal 2,4-dinitrophenylhydrazone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.106984245 u |
| Formula | C13H16N4O6 |
| InChI | InChI=1S/C13H16N4O6/c1-9(23-10(2)18)4-3-7-14-15-12-6-5-11(16(19)20)8-13(12)17(21)22/h5-9,15H,3-4H2,1-2H3/b14-7+ |
| InChIKey | FAYXRMQJCYWPOB-VGOFMYFVSA-N |
| Molecular Weight | 324.293 g/mol |
| SMILES | C1(N(=O)=O)=C(N\N=C\CCC(C)OC(C)=O)C=CC(=C1)N(=O)=O |