| SpectraBase Spectrum ID |
BnGWjMTEihb |
| Name |
1-Propene, 1-bromo-1-(trifluoro)methylthio-2-trifluoromethyl-3,3,3-trifluoro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.876037641 u |
| Formula |
C5BrF9S |
| InChI |
InChI=1S/C5BrF9S/c6-2(16-5(13,14)15)1(3(7,8)9)4(10,11)12 |
| InChIKey |
LTCKGJBNIHQKAJ-UHFFFAOYSA-N |
| Molecular Weight |
343.005 g/mol |
| SMILES |
C(=C(SC(F)(F)F)Br)(C(F)(F)F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951651 |
