| SpectraBase Spectrum ID |
LPmF6I6zUiu |
| Name |
1-{2-oxo-2-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]ethyl}-1H-pyrrole-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.044247882 u |
| Formula |
C19H11F3N2O3S |
| InChI |
InChI=1S/C19H11F3N2O3S/c20-19(21,22)11-5-6-15-13(9-11)24(12-3-1-2-4-14(12)28-15)18(27)10-23-16(25)7-8-17(23)26/h1-9H,10H2 |
| InChIKey |
ORWRCFHQRXUANX-UHFFFAOYSA-N |
| Molecular Weight |
404.363 g/mol |
| SMILES |
C1=2N(C=3C(SC2C=CC(C(F)(F)F)=C1)=CC=CC3)C(CN1C(C=CC1=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89795 |
![1-{2-Oxo-2-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethyl}-1H-pyrrole-2,5-dione](/api/spectrum/LPmF6I6zUiu/structure.png?h=300&w=458 "1-{2-Oxo-2-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]ethyl}-1H-pyrrole-2,5-dione")
