| SpectraBase Compound ID | B9gWzMxfghm |
|---|---|
| InChI | InChI=1S/C12H7N3O7/c16-13(17)8-5-6-12(10(7-8)15(20)21)22-11-4-2-1-3-9(11)14(18)19/h1-7H |
| InChIKey | ZFPQCDUWZQROIK-UHFFFAOYSA-N |
| Mol Weight | 305.2 g/mol |
| Molecular Formula | C12H7N3O7 |
| Exact Mass | 305.0284 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 87ATHH6IAMb |
|---|---|
| Name | 2,4-Dinitro-1-(o-nitrophenoxy)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.028399570 u |
| Formula | C12H7N3O7 |
| InChI | InChI=1S/C12H7N3O7/c16-13(17)8-5-6-12(10(7-8)15(20)21)22-11-4-2-1-3-9(11)14(18)19/h1-7H |
| InChIKey | ZFPQCDUWZQROIK-UHFFFAOYSA-N |
| Molecular Weight | 305.202 g/mol |
| SMILES | C1=C(OC2=CC=CC=C2N(=O)=O)C(=CC(=C1)N(=O)=O)N(=O)=O |