| SpectraBase Spectrum ID |
3UcU2XP2LVU |
| Name |
3-(Pentafluoropropionylthio)benzoyl chloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.954069056 u |
| Formula |
C10H4ClF5O2S |
| InChI |
InChI=1S/C10H4ClF5O2S/c11-7(17)5-2-1-3-6(4-5)19-8(18)9(12,13)10(14,15)16/h1-4H |
| InChIKey |
KAUIESJINPEJGR-UHFFFAOYSA-N |
| Molecular Weight |
318.645 g/mol |
| SMILES |
C1=C(C=CC=C1C(=O)Cl)SC(C(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940579 |
