SpectraBase Spectrum ID |
BJ4fxdJKn6r |
Name |
1H-Indole-2,3-dione, 5-bromo-7-(trifluoromethyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
292.929925828 u |
Formula |
C9H3BrF3NO2 |
InChI |
InChI=1S/C9H3BrF3NO2/c10-3-1-4-6(14-8(16)7(4)15)5(2-3)9(11,12)13/h1-2H,(H,14,15,16) |
InChIKey |
FUSDTCGITGSLPQ-UHFFFAOYSA-N |
Molecular Weight |
294.027 g/mol |
SMILES |
C12=C(C(=O)C(N2)=O)C=C(C=C1C(F)(F)F)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835268 |