| SpectraBase Spectrum ID |
DFUwMeUHMZq |
| Name |
Trans-o-coumaric acid, o-(N-propyloxycarbonyl)-, N-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.131073739 u |
| Formula |
C16H20O5 |
| InChI |
InChI=1S/C16H20O5/c1-3-11-19-15(17)10-9-13-7-5-6-8-14(13)21-16(18)20-12-4-2/h5-10H,3-4,11-12H2,1-2H3/b10-9+ |
| InChIKey |
FGSLMVYELJNBLL-MDZDMXLPSA-N |
| SMILES |
C1(=CC=CC=C1\C=C\C(=O)OCCC)OC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962102 |
