| SpectraBase Spectrum ID |
3XPhxMmN1Dm |
| Name |
2,3,5,6-Tetrafluorothiophenol, S-pentafluoropropionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.960439292 u |
| Formula |
C9HF9OS |
| InChI |
InChI=1S/C9HF9OS/c10-2-1-3(11)5(13)6(4(2)12)20-7(19)8(14,15)9(16,17)18/h1H |
| InChIKey |
ASTVXGIVYNJRTG-UHFFFAOYSA-N |
| Molecular Weight |
328.152 g/mol |
| SMILES |
C1(F)=C(C=C(C(=C1SC(C(C(F)(F)F)(F)F)=O)F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842435 |
