| SpectraBase Spectrum ID |
7xjJIFHmWyk |
| Name |
2-Bromo-4-fluoro-5-(trifluoromethyl)aniline, N,N-diacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.967454152 u |
| Formula |
C11H8BrF4NO2 |
| InChI |
InChI=1S/C11H8BrF4NO2/c1-5(18)17(6(2)19)10-3-7(11(14,15)16)9(13)4-8(10)12/h3-4H,1-2H3 |
| InChIKey |
MQLMMKJKLVETLS-UHFFFAOYSA-N |
| Molecular Weight |
342.088 g/mol |
| SMILES |
C1(N(C(C)=O)C(C)=O)=C(C=C(C(=C1)C(F)(F)F)F)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943479 |
