| SpectraBase Spectrum ID |
HGGVmBSaZx3 |
| Name |
alpha-Cyano-2,4,5-trimethoxycinnamic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.110672646 u |
| Formula |
C15H17NO5 |
| InChI |
InChI=1S/C15H17NO5/c1-5-21-15(17)11(9-16)6-10-7-13(19-3)14(20-4)8-12(10)18-2/h6-8H,5H2,1-4H3 |
| InChIKey |
JNRMJRJOIFQHGX-UHFFFAOYSA-N |
| SMILES |
C1(=CC(=C(C=C1OC)OC)OC)C=C(C(OCC)=O)C#N |
| Spectrum/Structure Validation Score (Raman) |
0.928621 |
