| SpectraBase Spectrum ID |
JJOLsHxXAAY |
| Name |
5-Bromo-2-hydroxy-3-(trifluoromethoxy)benzaldehyde, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.940156158 u |
| Formula |
C10H6BrF3O4 |
| InChI |
InChI=1S/C10H6BrF3O4/c1-5(16)17-9-6(4-15)2-7(11)3-8(9)18-10(12,13)14/h2-4H,1H3 |
| InChIKey |
QDWKFSLVNNPGEK-UHFFFAOYSA-N |
| Molecular Weight |
327.053 g/mol |
| SMILES |
C(C1=C(C(=CC(=C1)Br)OC(F)(F)F)OC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957212 |
