| SpectraBase Spectrum ID |
2k47pwAVOOI |
| Name |
2,4-Dichlorothiophenol, S-pentafluoropropionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.920182105 u |
| Formula |
C9H3Cl2F5OS |
| InChI |
InChI=1S/C9H3Cl2F5OS/c10-4-1-2-6(5(11)3-4)18-7(17)8(12,13)9(14,15)16/h1-3H |
| InChIKey |
CNEPSILHEYQPSS-UHFFFAOYSA-N |
| Molecular Weight |
325.080 g/mol |
| SMILES |
C1(SC(C(C(F)(F)F)(F)F)=O)=C(C=C(C=C1)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924315 |
