| SpectraBase Compound ID | 4XRAnJljuCf |
|---|---|
| InChI | InChI=1S/C13H14N2O6/c1-2-3-4-5-6-21-13(16)10-7-11(14(17)18)9-12(8-10)15(19)20/h3-4,7-9H,2,5-6H2,1H3/b4-3+ |
| InChIKey | QVOVOBIUXJFNNO-ONEGZZNKSA-N |
| Mol Weight | 294.26 g/mol |
| Molecular Formula | C13H14N2O6 |
| Exact Mass | 294.085186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 96D38NkyGbs |
|---|---|
| Name | (E)-hex-3-Enyl 3,5-dinitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.085186173 u |
| Formula | C13H14N2O6 |
| InChI | InChI=1S/C13H14N2O6/c1-2-3-4-5-6-21-13(16)10-7-11(14(17)18)9-12(8-10)15(19)20/h3-4,7-9H,2,5-6H2,1H3/b4-3+ |
| InChIKey | QVOVOBIUXJFNNO-ONEGZZNKSA-N |
| Molecular Weight | 294.263 g/mol |
| SMILES | C1(=CC(=CC(=C1)N(=O)=O)N(=O)=O)C(=O)OCC\C=C\CC |