| SpectraBase Spectrum ID |
39nGFbHGkk8 |
| Name |
(Z)-3-Bromo-4-(2-chloro-phenylsulfanyl)-1,1,1-trifluoro-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 |
343.888511143 u |
| Formula |
C10H5BrClF3OS |
| InChI |
InChI=1S/C10H5BrClF3OS/c11-6(9(16)10(13,14)15)5-17-8-4-2-1-3-7(8)12/h1-5H/b6-5- |
| InChIKey |
DBFALRFVMSMFIF-WAYWQWQTSA-N |
| Molecular Weight |
345.561 g/mol |
| SMILES |
C=1C(=C(C=CC1)Cl)S\C=C\(C(=O)C(F)(F)F)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965701 |
