| SpectraBase Spectrum ID |
tRkUOtPNn1 |
| Name |
2-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/c14-12-4-2-1-3-11(12)13(16)19-10-7-5-9(6-8-10)15(17)18/h1-8H |
| InChIKey |
GMZLSLUTABHXMQ-UHFFFAOYSA-N |
| Molecular Weight |
322.114 g/mol |
| SMILES |
C1=CC=C(C(=C1)C(OC1=CC=C(C=C1)N(=O)=O)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85626 |
