| SpectraBase Spectrum ID |
CjfRzC09lty |
| Name |
Trans-2-methoxycinnamic acid, isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.109944372 u |
| Formula |
C13H16O3 |
| InChI |
InChI=1S/C13H16O3/c1-10(2)16-13(14)9-8-11-6-4-5-7-12(11)15-3/h4-10H,1-3H3/b9-8+ |
| InChIKey |
OQBSEORHDBHHJT-CMDGGOBGSA-N |
| Molecular Weight |
220.268 g/mol |
| SMILES |
C(OC(C)C)(=O)\C=C\C1=C(OC)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890158 |
