| SpectraBase Spectrum ID |
52fzqolJkCY |
| Name |
3-Bromobenzoic acid, 4-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/c14-10-3-1-2-9(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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861723 |
