| SpectraBase Spectrum ID |
CCOjNJTiqfG |
| Name |
(E)-2-Fluoro-3-(3-methoxyphenyl)-propenoic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.084872439 u |
| Formula |
C12H13FO3 |
| InChI |
InChI=1S/C12H13FO3/c1-3-16-12(14)11(13)8-9-5-4-6-10(7-9)15-2/h4-8H,3H2,1-2H3/b11-8- |
| InChIKey |
NMBGKFRJOFBPGI-FLIBITNWSA-N |
| Molecular Weight |
224.231 g/mol |
| SMILES |
C1(=CC(=CC=C1)\C=C\(C(OCC)=O)F)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938906 |
