| SpectraBase Spectrum ID |
7vu7uTlhPAk |
| Name |
Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.076785695 u |
| Formula |
C14H16ClNO4 |
| InChI |
InChI=1S/C14H16ClNO4/c1-9(2)20-14(18)7-6-13(17)16-11-8-10(15)4-5-12(11)19-3/h4-9H,1-3H3,(H,16,17)/b7-6+ |
| InChIKey |
CDLYVQUQMMALKU-VOTSOKGWSA-N |
| Molecular Weight |
297.738 g/mol |
| SMILES |
COC1=CC=C(C=C1NC(\C=C\C(=O)OC(C)C)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92527 |
