| SpectraBase Spectrum ID |
8CZ3kdKXJAF |
| Name |
Methyl (Z)-2-bromo-3-(4-fluorophenyl)propenoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.969170659 u |
| Formula |
C10H8BrFO2 |
| InChI |
InChI=1S/C10H8BrFO2/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-6H,1H3/b9-6- |
| InChIKey |
HANOBLQKQNYRPH-TWGQIWQCSA-N |
| Molecular Weight |
259.074 g/mol |
| SMILES |
C(\C(=C\C=1C=CC(=CC1)F)Br)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87587 |
