| SpectraBase Spectrum ID |
9NAwLrzr6Om |
| Name |
4,4,4-Trifluoro-2-(1,1,2,3,3,3-hexafluoro-propylsulfanyl)-3-(4-methoxy-phenylamino)-but-2-enenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.029187558 u |
| Formula |
C14H9F9N2OS |
| InChI |
InChI=1S/C14H9F9N2OS/c1-26-8-4-2-7(3-5-8)25-10(12(16,17)18)9(6-24)27-14(22,23)11(15)13(19,20)21/h2-5,11,25H,1H3/b10-9+ |
| InChIKey |
JHYMRWVROCCYDG-MDZDMXLPSA-N |
| Molecular Weight |
424.285 g/mol |
| SMILES |
C(C(S\C(C#N)=C\(NC1=CC=C(OC)C=C1)C(F)(F)F)(F)F)(C(F)(F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81168 |
