| SpectraBase Compound ID | IUiXIUTmVve |
|---|---|
| InChI | InChI=1S/C14H11N3O6/c1-9(18)23-14-5-3-2-4-12(14)15-11-7-6-10(16(19)20)8-13(11)17(21)22/h2-8,15H,1H3 |
| InChIKey | MIRHBFBULNKYNW-UHFFFAOYSA-N |
| Mol Weight | 317.26 g/mol |
| Molecular Formula | C14H11N3O6 |
| Exact Mass | 317.064785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FE4FndGOicU |
|---|---|
| Name | o-(2,4-Dinitroanilino)phenyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.064785080 u |
| Formula | C14H11N3O6 |
| InChI | InChI=1S/C14H11N3O6/c1-9(18)23-14-5-3-2-4-12(14)15-11-7-6-10(16(19)20)8-13(11)17(21)22/h2-8,15H,1H3 |
| InChIKey | MIRHBFBULNKYNW-UHFFFAOYSA-N |
| Molecular Weight | 317.257 g/mol |
| SMILES | C1(=CC=CC=C1OC(=O)C)NC1=CC=C(N(=O)=O)C=C1N(=O)=O |