| SpectraBase Spectrum ID |
8Z7SwTzSpqY |
| Name |
2-Hydroxy-5-bromobenzophenone, pentafluoropropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.957697930 u |
| Formula |
C16H8BrF5O3 |
| InChI |
InChI=1S/C16H8BrF5O3/c17-10-6-7-12(25-14(24)15(18,19)16(20,21)22)11(8-10)13(23)9-4-2-1-3-5-9/h1-8H |
| InChIKey |
ICZQWGLRLSQLME-UHFFFAOYSA-N |
| Molecular Weight |
423.133 g/mol |
| SMILES |
C1(Br)=CC(=C(C=C1)OC(C(C(F)(F)F)(F)F)=O)C(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910772 |
