| SpectraBase Spectrum ID |
3cO0F7qzFTV |
| Name |
p-Bromobenzoic acid, m-nitrophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.963670738 u |
| Formula |
C13H8BrNO4 |
| InChI |
InChI=1S/C13H8BrNO4/c14-10-6-4-9(5-7-10)13(16)19-12-3-1-2-11(8-12)15(17)18/h1-8H |
| InChIKey |
WCXLHMLOCULNIC-UHFFFAOYSA-N |
| Molecular Weight |
322.114 g/mol |
| SMILES |
N(=O)(=O)C=1C=CC=C(C1)OC(C=1C=CC(=CC1)Br)=O |
| Spectrum/Structure Validation Score (Raman) |
0.767359 |
