| SpectraBase Compound ID | EGm57k4T8AG |
|---|---|
| InChI | InChI=1S/C13H8N2O6/c16-13(9-4-6-10(7-5-9)14(17)18)21-12-3-1-2-11(8-12)15(19)20/h1-8H |
| InChIKey | ARGYOGNMTYCQMM-UHFFFAOYSA-N |
| Mol Weight | 288.22 g/mol |
| Molecular Formula | C13H8N2O6 |
| Exact Mass | 288.038236 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GQA0FYLd87C |
|---|---|
| Name | 4-Nitrobenzoic acid (3-nitrophenyl) ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H8N2O6 |
| InChI | InChI=1S/C13H8N2O6/c16-13(9-4-6-10(7-5-9)14(17)18)21-12-3-1-2-11(8-12)15(19)20/h1-8H |
| InChIKey | ARGYOGNMTYCQMM-UHFFFAOYSA-N |
| Molecular Weight | 288.215 g/mol |
| SMILES | c1(N(=O)=O)cc(OC(c2ccc(N(=O)=O)cc2)=O)ccc1 |
| SPLASH | splash10-000i-0950000000-b8a743001171e4af4c7e |
| Source of Spectrum | OS-6-191-0 |
| Wiley ID | 1291365 |