| SpectraBase Spectrum ID |
J9B4W4eqNf3 |
| Name |
3-Chloro-4-fluorothiophenol, S-pentafluoropropionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.949732568 u |
| Formula |
C9H3ClF6OS |
| InChI |
InChI=1S/C9H3ClF6OS/c10-5-3-4(1-2-6(5)11)18-7(17)8(12,13)9(14,15)16/h1-3H |
| InChIKey |
IFTRKIDEQSSFSJ-UHFFFAOYSA-N |
| Molecular Weight |
308.625 g/mol |
| SMILES |
C1(F)=C(C=C(C=C1)SC(C(C(F)(F)F)(F)F)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933273 |
