| SpectraBase Spectrum ID |
BnyBiNS5qOf |
| Name |
1-Bromo-1-fluoro-2-(3',4'-methylenedioxyphenyl)-ethene;trans-isomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.953520594 u |
| Formula |
C9H6BrFO2 |
| InChI |
InChI=1S/C9H6BrFO2/c10-9(11)4-6-1-2-7-8(3-6)13-5-12-7/h1-4H,5H2/b9-4- |
| InChIKey |
JXYFICWQXIKATC-WTKPLQERSA-N |
| Molecular Weight |
245.047 g/mol |
| SMILES |
C1(\C=C\(Br)F)=CC2=C(C=C1)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94535 |
