| SpectraBase Spectrum ID |
ACn9MdwBXnG |
| Name |
Fumaric acid, monoamide, N-(2-methoxy-5-chlorophenyl)-, pentyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.108085824 u |
| Formula |
C16H20ClNO4 |
| InChI |
InChI=1S/C16H20ClNO4/c1-3-4-5-10-22-16(20)9-8-15(19)18-13-11-12(17)6-7-14(13)21-2/h6-9,11H,3-5,10H2,1-2H3,(H,18,19)/b9-8+ |
| InChIKey |
JNGFTCSLHPKQIY-CMDGGOBGSA-N |
| Molecular Weight |
325.792 g/mol |
| SMILES |
C(\C=C\C(NC1=CC(=CC=C1OC)Cl)=O)(OCCCCC)=O |
