| SpectraBase Spectrum ID |
HGYpXGgzkRq |
| Name |
6-(Trifluoromethoxy)-1H-indole-2,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.014327479 u |
| Formula |
C9H4F3NO3 |
| InChI |
InChI=1S/C9H4F3NO3/c10-9(11,12)16-4-1-2-5-6(3-4)13-8(15)7(5)14/h1-3H,(H,13,14,15) |
| InChIKey |
NHPRQRZWXLBANJ-UHFFFAOYSA-N |
| Molecular Weight |
231.130 g/mol |
| SMILES |
C(F)(F)(F)OC1=CC2=C(C=C1)C(=O)C(N2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958599 |
