| SpectraBase Spectrum ID |
y6kyBA37z8 |
| Name |
cis-alpha-Cyano-m-methoxy-beta-methylcinnamic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
245.105193344 u |
| Formula |
C14H15NO3 |
| InChI |
InChI=1S/C14H15NO3/c1-4-18-14(16)13(9-15)10(2)11-6-5-7-12(8-11)17-3/h5-8H,4H2,1-3H3/b13-10- |
| InChIKey |
VLHXHTOUMNNCSC-RAXLEYEMSA-N |
| Molecular Weight |
245.278 g/mol |
| SMILES |
C=1C(=CC=CC1OC)\C(C)=C/(C(OCC)=O)C#N |
| Spectrum/Structure Validation Score (Raman) |
0.748305 |
