| SpectraBase Spectrum ID |
DFBKEuNuUfR |
| Name |
(Z)-1-(Ethoxycarbonyl-1-fluoro-2-(methoxycarbonyl)-2-phenylethene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.079787058 u |
| Formula |
C13H13FO4 |
| InChI |
InChI=1S/C13H13FO4/c1-3-18-13(16)11(14)10(12(15)17-2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3/b11-10- |
| InChIKey |
ZWGGOUPBQWGIAD-KHPPLWFESA-N |
| Molecular Weight |
252.241 g/mol |
| SMILES |
C(\C(=C\(C(=O)OC)C=1C=CC=CC1)F)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862242 |
