| SpectraBase Compound ID | Ah1a2onCB03 |
|---|---|
| InChI | InChI=1S/C13H8BrNO4/c14-10-4-6-12(7-5-10)19-13(16)9-2-1-3-11(8-9)15(17)18/h1-8H |
| InChIKey | MWZLYKLATPPFHT-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 | FP8IKclGKWD |
|---|---|
| Name | 3-Nitrobenzoic acid (4-bromophenyl) 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/c14-10-4-6-12(7-5-10)19-13(16)9-2-1-3-11(8-9)15(17)18/h1-8H |
| InChIKey | MWZLYKLATPPFHT-UHFFFAOYSA-N |
| Molecular Weight | 322.114 g/mol |
| SMILES | C1(N(=O)=O)=CC(C(OC2=CC=C(C=C2)Br)=O)=CC=C1 |