![N-[3,5-Dinitropyridin-2-yl]alanine](/api/spectrum/EyHhHHJUGyd/structure.png?h=300&w=458 "N-[3,5-Dinitropyridin-2-yl]alanine")
| SpectraBase Compound ID | CJBuNALyNbV |
|---|---|
| InChI | InChI=1S/C8H8N4O6/c1-4(8(13)14)10-7-6(12(17)18)2-5(3-9-7)11(15)16/h2-4H,1H3,(H,9,10)(H,13,14) |
| InChIKey | BNQKJWXMEDNNIP-UHFFFAOYSA-N |
| Mol Weight | 256.17 g/mol |
| Molecular Formula | C8H8N4O6 |
| Exact Mass | 256.044384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EyHhHHJUGyd |
|---|---|
| Name | N-[3,5-Dinitropyridin-2-yl]alanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.044383988 u |
| Formula | C8H8N4O6 |
| InChI | InChI=1S/C8H8N4O6/c1-4(8(13)14)10-7-6(12(17)18)2-5(3-9-7)11(15)16/h2-4H,1H3,(H,9,10)(H,13,14) |
| InChIKey | BNQKJWXMEDNNIP-UHFFFAOYSA-N |
| SMILES | C1(=C(N=CC(=C1)N(=O)=O)NC(C(O)=O)C)N(=O)=O |