| SpectraBase Spectrum ID |
GsYiv6LIMQ5 |
| Name |
(Z)-3-Bromo-1,1,1-trifluoro-4-(3-methoxy-phenyl-sulfanyl)-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 |
339.938048159 u |
| Formula |
C11H8BrF3O2S |
| InChI |
InChI=1S/C11H8BrF3O2S/c1-17-7-3-2-4-8(5-7)18-6-9(12)10(16)11(13,14)15/h2-6H,1H3/b9-6- |
| InChIKey |
JYLDGWSTUJKLHD-TWGQIWQCSA-N |
| Molecular Weight |
341.142 g/mol |
| SMILES |
C=1C(=CC(=CC1)OC)S\C=C\(Br)C(=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91983 |
