| SpectraBase Spectrum ID |
6qaLTAx82cs |
| Name |
p-Coumaric acid, N-pentyl ether, N-pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.203844759 u |
| Formula |
C19H28O3 |
| InChI |
InChI=1S/C19H28O3/c1-3-5-7-15-21-18-12-9-17(10-13-18)11-14-19(20)22-16-8-6-4-2/h9-14H,3-8,15-16H2,1-2H3/b14-11+ |
| InChIKey |
UPJSDZTZQNSKSJ-SDNWHVSQSA-N |
| Molecular Weight |
304.430 g/mol |
| SMILES |
C1=CC(=CC=C1\C=C\C(=O)OCCCCC)OCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837784 |
