| SpectraBase Spectrum ID |
EyzulaQ0qh7 |
| Name |
5-Methyl-3-[.alpha.,.alpha.,.alpha.-trifluoro-p-tolyl]rhodanine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.999940718 u |
| Formula |
C11H8F3NOS2 |
| InChI |
InChI=1S/C11H8F3NOS2/c1-6-9(16)15(10(17)18-6)8-4-2-7(3-5-8)11(12,13)14/h2-6H,1H3 |
| InChIKey |
MRHLTMNMTDTOPK-UHFFFAOYSA-N |
| Molecular Weight |
291.306 g/mol |
| SMILES |
C1(SC(C(N1C1=CC=C(C=C1)C(F)(F)F)=O)C)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847567 |
![5-Methyl-3-[.alpha.,.alpha.,.alpha.-trifluoro-p-tolyl]rhodanine](/api/spectrum/EyzulaQ0qh7/structure.png?h=300&w=458 "5-Methyl-3-[.alpha.,.alpha.,.alpha.-trifluoro-p-tolyl]rhodanine")
