| SpectraBase Spectrum ID |
BFx0oB6NDC1 |
| Name |
4-(Benzyloxy)-alpha-cyano-3-methoxycinnamic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.131408092 u |
| Formula |
C20H19NO4 |
| InChI |
InChI=1S/C20H19NO4/c1-3-24-20(22)17(13-21)11-16-9-10-18(19(12-16)23-2)25-14-15-7-5-4-6-8-15/h4-12H,3,14H2,1-2H3 |
| InChIKey |
OLZDUDAXAKUUCC-UHFFFAOYSA-N |
| Molecular Weight |
337.375 g/mol |
| SMILES |
C=1C(=CC=CC1)COC=1C=CC(=CC1OC)C=C(C(OCC)=O)C#N |
| Spectrum/Structure Validation Score (Raman) |
0.897413 |
