| SpectraBase Compound ID | 9k74Fwd7HA7 |
|---|---|
| InChI | InChI=1S/C12H10N4O5/c13-9-3-1-7(5-11(9)15(17)18)21-8-2-4-10(14)12(6-8)16(19)20/h1-6H,13-14H2 |
| InChIKey | UPUDSFHDZIXLGD-UHFFFAOYSA-N |
| Mol Weight | 290.23 g/mol |
| Molecular Formula | C12H10N4O5 |
| Exact Mass | 290.065119 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3aeScrMbjwT |
|---|---|
| Name | 4,4'-Diamino-3,3'-dinitrodiphenyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.065119433 u |
| Formula | C12H10N4O5 |
| InChI | InChI=1S/C12H10N4O5/c13-9-3-1-7(5-11(9)15(17)18)21-8-2-4-10(14)12(6-8)16(19)20/h1-6H,13-14H2 |
| InChIKey | UPUDSFHDZIXLGD-UHFFFAOYSA-N |
| Molecular Weight | 290.235 g/mol |
| SMILES | NC1=CC=C(OC2=CC=C(C(=C2)N(=O)=O)N)C=C1N(=O)=O |