| SpectraBase Compound ID | 4vwkodSfWWd |
|---|---|
| InChI | InChI=1S/C13H8N6O9/c20-13(14-9-3-1-7(16(21)22)5-11(9)18(25)26)15-10-4-2-8(17(23)24)6-12(10)19(27)28/h1-6H,(H2,14,15,20) |
| InChIKey | QDBFUVHMCTWAOT-UHFFFAOYSA-N |
| Mol Weight | 392.24 g/mol |
| Molecular Formula | C13H8N6O9 |
| Exact Mass | 392.035276 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C79gILjCWAg |
|---|---|
| Name | 1,3-bis(2,4-Dinitrophenyl)urea |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.035275853 u |
| Formula | C13H8N6O9 |
| InChI | InChI=1S/C13H8N6O9/c20-13(14-9-3-1-7(16(21)22)5-11(9)18(25)26)15-10-4-2-8(17(23)24)6-12(10)19(27)28/h1-6H,(H2,14,15,20) |
| InChIKey | QDBFUVHMCTWAOT-UHFFFAOYSA-N |
| Molecular Weight | 392.240 g/mol |
| SMILES | C1(N(=O)=O)=CC(N(=O)=O)=CC=C1NC(NC=1C(N(=O)=O)=CC(N(=O)=O)=CC1)=O |