| SpectraBase Compound ID | 2OZmfc0GNVz |
|---|---|
| InChI | InChI=1S/C13H8BrNO4/c14-10-3-1-2-9(8-10)13(16)19-12-6-4-11(5-7-12)15(17)18/h1-8H |
| InChIKey | SDTSMRAQTBFFQM-UHFFFAOYSA-N |
| Mol Weight | 322.11 g/mol |
| Molecular Formula | C13H8BrNO4 |
| Exact Mass | 320.963671 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FffAK7U4JBo |
|---|---|
| Name | 3-Bromobenzoic acid, 4-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.963670738 u |
| Formula | C13H8BrNO4 |
| InChI | InChI=1S/C13H8BrNO4/c14-10-3-1-2-9(8-10)13(16)19-12-6-4-11(5-7-12)15(17)18/h1-8H |
| InChIKey | SDTSMRAQTBFFQM-UHFFFAOYSA-N |
| Molecular Weight | 322.114 g/mol |
| SMILES | C1(=CC=CC(=C1)C(OC1=CC=C(C=C1)N(=O)=O)=O)Br |