| SpectraBase Spectrum ID |
2p7ShEnZVpQ |
| Name |
4-(4-Chlor-2-trifluormethylphenyliminomethyl)-3-(3-trifluormethylphenyl)-2,3-dihydrothiazol-2-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
465.979987324 u |
| Formula |
C18H9ClF6N2S2 |
| InChI |
InChI=1S/C18H9ClF6N2S2/c19-11-4-5-15(14(7-11)18(23,24)25)26-8-13-9-29-16(28)27(13)12-3-1-2-10(6-12)17(20,21)22/h1-9H/b26-8+ |
| InChIKey |
CCRYNWMQDZOPQO-MWRNPHMMSA-N |
| Molecular Weight |
466.847 g/mol |
| SMILES |
C1(SC=C(N1C=1C=C(C=CC1)C(F)(F)F)\C=N\C=1C(=CC(=CC1)Cl)C(F)(F)F)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939302 |
