| SpectraBase Spectrum ID |
FdJBaXjJRI7 |
| Name |
Benzoic acid, 4-[3-(3,4-dimethoxyphenyl)acryloylamino]-, pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.188922968 u |
| Formula |
C23H27NO5 |
| InChI |
InChI=1S/C23H27NO5/c1-4-5-6-15-29-23(26)18-9-11-19(12-10-18)24-22(25)14-8-17-7-13-20(27-2)21(16-17)28-3/h7-14,16H,4-6,15H2,1-3H3,(H,24,25)/b14-8+ |
| InChIKey |
CGSKQEAFBZYXNV-RIYZIHGNSA-N |
| Molecular Weight |
397.471 g/mol |
| SMILES |
C1=C(C=C(C(=C1)OC)OC)\C=C\C(NC1=CC=C(C=C1)C(OCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869466 |
![Benzoic acid, 4-[3-(3,4-dimethoxyphenyl)acryloylamino]-, pentyl ester](/api/spectrum/FdJBaXjJRI7/structure.png?h=300&w=458 "Benzoic acid, 4-[3-(3,4-dimethoxyphenyl)acryloylamino]-, pentyl ester")
