| SpectraBase Spectrum ID |
FnWwvovITyo |
| Name |
2-(2,4,6-Trifluoro-phenyl)-thiazolidine-3-carbothioic acid (3-trifluoromethyl-phenyl)-amide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.034609720 u |
| Formula |
C17H12F6N2S2 |
| InChI |
InChI=1S/C17H12F6N2S2/c18-10-7-12(19)14(13(20)8-10)15-25(4-5-27-15)16(26)24-11-3-1-2-9(6-11)17(21,22)23/h1-3,6-8,15H,4-5H2,(H,24,26) |
| InChIKey |
CLVLFDRKMMENFL-UHFFFAOYSA-N |
| Molecular Weight |
422.407 g/mol |
| SMILES |
C=1C=CC(C(F)(F)F)=CC1NC(N1C(C=2C(=CC(=CC2F)F)F)SCC1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846528 |
