| SpectraBase Spectrum ID |
DzziD1JD4UE |
| Name |
2,2'-(2-Bromo-5-formyl-1,4-phenylene)bis(oxy)diacetic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.953165623 u |
| Formula |
C11H9BrO7 |
| InChI |
InChI=1S/C11H9BrO7/c12-7-2-8(18-4-10(14)15)6(3-13)1-9(7)19-5-11(16)17/h1-3H,4-5H2,(H,14,15)(H,16,17) |
| InChIKey |
HCBBUUQIEVBQTN-UHFFFAOYSA-N |
| Molecular Weight |
333.090 g/mol |
| SMILES |
C=1C(=C(C=C(C1Br)OCC(O)=O)C=O)OCC(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952358 |
