| SpectraBase Spectrum ID |
8JfD99nDj9E |
| Name |
Ethyl-[(4-chloro-(2-ethoxycarbonylaminophenyl)-hydroxymethylidene]-cyanoacetate;keto-form |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.066949286 u |
| Formula |
C15H15ClN2O5 |
| InChI |
InChI=1S/C15H15ClN2O5/c1-3-22-14(20)11(8-17)13(19)10-6-5-9(16)7-12(10)18-15(21)23-4-2/h5-7,19H,3-4H2,1-2H3,(H,18,21)/b13-11- |
| InChIKey |
CXURUWYEOFIYDA-QBFSEMIESA-N |
| Molecular Weight |
338.747 g/mol |
| SMILES |
C(OC(=O)\C(C#N)=C\(O)C1=C(C=C(Cl)C=C1)NC(=O)OCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82724 |
![Ethyl-[(4-chloro-(2-ethoxycarbonylaminophenyl)-hydroxymethylidene]-cyanoacetate;keto-form](/api/spectrum/8JfD99nDj9E/structure.png?h=300&w=458 "Ethyl-[(4-chloro-(2-ethoxycarbonylaminophenyl)-hydroxymethylidene]-cyanoacetate;keto-form")
