| SpectraBase Spectrum ID |
FxvT2tcq8BW |
| Name |
5-Bromoprotocatechualdehyde, 2ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.963336385 u |
| Formula |
C11H9BrO5 |
| InChI |
InChI=1S/C11H9BrO5/c1-6(14)16-10-4-8(5-13)3-9(12)11(10)17-7(2)15/h3-5H,1-2H3 |
| InChIKey |
UGYNMTWDHHKCPK-UHFFFAOYSA-N |
| Molecular Weight |
301.092 g/mol |
| SMILES |
C(C1=CC(=C(C(=C1)Br)OC(=O)C)OC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937325 |
