| SpectraBase Spectrum ID |
6xZXwvMQD5H |
| Name |
3-Bromo-4,5-diaminobenzotrifluoride, 2ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.987775057 u |
| Formula |
C11H10BrF3N2O2 |
| InChI |
InChI=1S/C11H10BrF3N2O2/c1-5(18)16-9-4-7(11(13,14)15)3-8(12)10(9)17-6(2)19/h3-4H,1-2H3,(H,16,18)(H,17,19) |
| InChIKey |
RRGDPGYSKHPTOO-UHFFFAOYSA-N |
| Molecular Weight |
339.112 g/mol |
| SMILES |
C(F)(F)(F)C1=CC(=C(C(=C1)NC(C)=O)NC(C)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960479 |
