| SpectraBase Spectrum ID |
4ke4yAYLZHD |
| Name |
6-(3-Trifluoromethyl-phenyl)-[1,3]dithiolo[5,6][1,4]dithiino[2,3-C]pyrrole-2,5,7-trione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.902612175 u |
| Formula |
C14H4F3NO3S4 |
| InChI |
InChI=1S/C14H4F3NO3S4/c15-14(16,17)5-2-1-3-6(4-5)18-9(19)7-8(10(18)20)23-12-11(22-7)24-13(21)25-12/h1-4H |
| InChIKey |
YWEOHIVSVNTIPX-UHFFFAOYSA-N |
| Molecular Weight |
419.425 g/mol |
| SMILES |
C12=C(C(=O)N(C2=O)C2=CC(C(F)(F)F)=CC=C2)SC2=C(S1)SC(=O)S2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840368 |
![6-(3-Trifluoromethyl-phenyl)-[1,3]dithiolo[5,6][1,4]dithiino[2,3-c]pyrrole-2,5,7-trione](/api/spectrum/4ke4yAYLZHD/structure.png?h=300&w=458 "6-(3-Trifluoromethyl-phenyl)-[1,3]dithiolo[5,6][1,4]dithiino[2,3-c]pyrrole-2,5,7-trione")
