| SpectraBase Compound ID | 4h7gG7p2Vik |
|---|---|
| InChI | InChI=1S/C13H10N4O6/c1-23-13(18)9-4-2-3-5-10(9)15-12-11(17(21)22)6-8(7-14-12)16(19)20/h2-7H,1H3,(H,14,15) |
| InChIKey | IFPIGQKAVHXFSA-UHFFFAOYSA-N |
| Mol Weight | 318.25 g/mol |
| Molecular Formula | C13H10N4O6 |
| Exact Mass | 318.060034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6w5jiA0J2ay |
|---|---|
| Name | 2-(2-Methoxycarbonylanilino)-3,5-dinitropyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.060034052 u |
| Formula | C13H10N4O6 |
| InChI | InChI=1S/C13H10N4O6/c1-23-13(18)9-4-2-3-5-10(9)15-12-11(17(21)22)6-8(7-14-12)16(19)20/h2-7H,1H3,(H,14,15) |
| InChIKey | IFPIGQKAVHXFSA-UHFFFAOYSA-N |
| Molecular Weight | 318.245 g/mol |
| SMILES | N(c1c(N(=O)=O)cc(N(=O)=O)cn1)c1c(C(=O)OC)cccc1 |