| SpectraBase Spectrum ID |
94TddzUFtUT |
| Name |
(Z)-3-Bromo-1,1,1-trifluoro-4-phenylsulfanyl-but-3-en-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.927483475 u |
| Formula |
C10H6BrF3OS |
| InChI |
InChI=1S/C10H6BrF3OS/c11-8(9(15)10(12,13)14)6-16-7-4-2-1-3-5-7/h1-6H/b8-6- |
| InChIKey |
XFFPXLVCSLKRAD-VURMDHGXSA-N |
| Molecular Weight |
311.116 g/mol |
| SMILES |
C=1C(=CC=CC1)S\C=C\(Br)C(=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939948 |
