![N-[3,5-Dinitropyridin-2-yl]valine](/api/spectrum/34JFPA84Dtu/structure.png?h=300&w=458 "N-[3,5-Dinitropyridin-2-yl]valine")
| SpectraBase Compound ID | 9HCaoZfbTk9 |
|---|---|
| InChI | InChI=1S/C10H12N4O6/c1-5(2)8(10(15)16)12-9-7(14(19)20)3-6(4-11-9)13(17)18/h3-5,8H,1-2H3,(H,11,12)(H,15,16) |
| InChIKey | SKLKGBJXJPCGMJ-UHFFFAOYSA-N |
| Mol Weight | 284.23 g/mol |
| Molecular Formula | C10H12N4O6 |
| Exact Mass | 284.075684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 34JFPA84Dtu |
|---|---|
| Name | N-[3,5-Dinitropyridin-2-yl]valine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.075684116 u |
| Formula | C10H12N4O6 |
| InChI | InChI=1S/C10H12N4O6/c1-5(2)8(10(15)16)12-9-7(14(19)20)3-6(4-11-9)13(17)18/h3-5,8H,1-2H3,(H,11,12)(H,15,16) |
| InChIKey | SKLKGBJXJPCGMJ-UHFFFAOYSA-N |
| SMILES | C1=NC(=C(C=C1N(=O)=O)N(=O)=O)NC(C(C)C)C(O)=O |