| SpectraBase Spectrum ID |
4Ha5u9AKrZU |
| Name |
Fumaric acid, monoamide, N-methyl-N-phenyl-, 2,5-dichlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.027248680 u |
| Formula |
C17H13Cl2NO3 |
| InChI |
InChI=1S/C17H13Cl2NO3/c1-20(13-5-3-2-4-6-13)16(21)9-10-17(22)23-15-11-12(18)7-8-14(15)19/h2-11H,1H3/b10-9+ |
| InChIKey |
KKVMLYZFPFFMRF-MDZDMXLPSA-N |
| Molecular Weight |
350.201 g/mol |
| SMILES |
C1=C(C(=CC=C1Cl)Cl)OC(=O)\C=C\C(N(C)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893586 |
