| SpectraBase Compound ID | 24f4GGxI0KV |
|---|---|
| InChI | InChI=1S/C13H8N2O6/c16-13(9-2-1-3-11(8-9)15(19)20)21-12-6-4-10(5-7-12)14(17)18/h1-8H |
| InChIKey | BGIABZAXDMNJKW-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 | 96I8BctlMgj |
|---|---|
| Name | 3-Nitrobenzoic acid (4-nitrophenyl) ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H8N2O6 |
| InChI | InChI=1S/C13H8N2O6/c16-13(9-2-1-3-11(8-9)15(19)20)21-12-6-4-10(5-7-12)14(17)18/h1-8H |
| InChIKey | BGIABZAXDMNJKW-UHFFFAOYSA-N |
| Molecular Weight | 288.215 g/mol |
| SMILES | c1(N(=O)=O)cc(C(Oc2ccc(N(=O)=O)cc2)=O)ccc1 |
| SPLASH | splash10-000i-0900000000-c1766d5397e05f7933f5 |
| Source of Spectrum | OS-6-164-0 |
| Wiley ID | 1291362 |