| SpectraBase Compound ID | 8a0hJv3EN3m |
|---|---|
| InChI | InChI=1S/C8H6N2O6/c1-16-8(11)6-3-2-5(9(12)13)4-7(6)10(14)15/h2-4H,1H3 |
| InChIKey | WEUVWLHWKLGWBJ-UHFFFAOYSA-N |
| Mol Weight | 226.14 g/mol |
| Molecular Formula | C8H6N2O6 |
| Exact Mass | 226.022586 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9QweOgvABQI |
|---|---|
| Name | Benzoic acid, 2,4-dinitro-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.022585915 u |
| Formula | C8H6N2O6 |
| InChI | InChI=1S/C8H6N2O6/c1-16-8(11)6-3-2-5(9(12)13)4-7(6)10(14)15/h2-4H,1H3 |
| InChIKey | WEUVWLHWKLGWBJ-UHFFFAOYSA-N |
| Molecular Weight | 226.144 g/mol |
| SMILES | C(OC)(=O)C1=C(N(=O)=O)C=C(C=C1)N(=O)=O |