| SpectraBase Compound ID | 7YFHp41RcCB |
|---|---|
| InChI | InChI=1S/C11H10N2O6/c1-2-3-4-19-11(14)8-5-9(12(15)16)7-10(6-8)13(17)18/h2-3,5-7H,4H2,1H3/b3-2+ |
| InChIKey | WFJDNVCWKBAFND-NSCUHMNNSA-N |
| Mol Weight | 266.21 g/mol |
| Molecular Formula | C11H10N2O6 |
| Exact Mass | 266.053886 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4z6JHXgLuai |
|---|---|
| Name | (E)-but-2-Enyl 3,5-dinitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.053886044 u |
| Formula | C11H10N2O6 |
| InChI | InChI=1S/C11H10N2O6/c1-2-3-4-19-11(14)8-5-9(12(15)16)7-10(6-8)13(17)18/h2-3,5-7H,4H2,1H3/b3-2+ |
| InChIKey | WFJDNVCWKBAFND-NSCUHMNNSA-N |
| Molecular Weight | 266.209 g/mol |
| SMILES | C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OC\C=C\C |