| SpectraBase Spectrum ID |
9pE0BLktZY |
| Name |
2-Bromothiophenol, S-pentafluoropropionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.908639737 u |
| Formula |
C9H4BrF5OS |
| InChI |
InChI=1S/C9H4BrF5OS/c10-5-3-1-2-4-6(5)17-7(16)8(11,12)9(13,14)15/h1-4H |
| InChIKey |
SYVBSGLFMQXJDR-UHFFFAOYSA-N |
| Molecular Weight |
335.086 g/mol |
| SMILES |
C1(SC(C(C(F)(F)F)(F)F)=O)=C(C=CC=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836261 |
