| SpectraBase Spectrum ID |
Ibq6t51axhJ |
| Name |
4-Chloro-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 |
361.921466960 u |
| Formula |
C9ClF9OS |
| InChI |
InChI=1S/C9ClF9OS/c10-1-2(11)4(13)6(5(14)3(1)12)21-7(20)8(15,16)9(17,18)19 |
| InChIKey |
HHNRJQOPPHSMNB-UHFFFAOYSA-N |
| Molecular Weight |
362.597 g/mol |
| SMILES |
C1(F)=C(C(=C(C(=C1SC(C(C(F)(F)F)(F)F)=O)F)F)Cl)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909117 |
