| SpectraBase Spectrum ID |
1AcyJ7Ol2L6 |
| Name |
Propanedioic acid, [[(3-chloro-4-fluorophenyl)amino]methylene]-, diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.067363826 u |
| Formula |
C14H15ClFNO4 |
| InChI |
InChI=1S/C14H15ClFNO4/c1-3-20-13(18)10(14(19)21-4-2)8-17-9-5-6-12(16)11(15)7-9/h5-8,17H,3-4H2,1-2H3 |
| InChIKey |
QCUVGLQBYVPXDN-UHFFFAOYSA-N |
| Molecular Weight |
315.728 g/mol |
| SMILES |
C1=C(C=C(C(=C1)F)Cl)NC=C(C(OCC)=O)C(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980052 |
![Propanedioic acid, [[(3-chloro-4-fluorophenyl)amino]methylene]-, diethyl ester](/api/spectrum/1AcyJ7Ol2L6/structure.png?h=300&w=458 "Propanedioic acid, [[(3-chloro-4-fluorophenyl)amino]methylene]-, diethyl ester")
