| SpectraBase Spectrum ID |
KpMzSq7NFDd |
| Name |
4-Fluoroanilinomethylenemalonic acid, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.106336158 u |
| Formula |
C14H16FNO4 |
| InChI |
InChI=1S/C14H16FNO4/c1-3-19-13(17)12(14(18)20-4-2)9-16-11-7-5-10(15)6-8-11/h5-9,16H,3-4H2,1-2H3 |
| InChIKey |
UKOQPGUZNBTTLG-UHFFFAOYSA-N |
| Molecular Weight |
281.283 g/mol |
| SMILES |
C1=C(C=CC(=C1)F)NC=C(C(OCC)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971414 |
