| SpectraBase Spectrum ID |
BTR7LKnj76i |
| Name |
p-Acetamido-alpha-cyanocinnamic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.100442316 u |
| Formula |
C14H14N2O3 |
| InChI |
InChI=1S/C14H14N2O3/c1-3-19-14(18)12(9-15)8-11-4-6-13(7-5-11)16-10(2)17/h4-8H,3H2,1-2H3,(H,16,17) |
| InChIKey |
CPLWLQOLZIZSLD-UHFFFAOYSA-N |
| Molecular Weight |
258.277 g/mol |
| SMILES |
N(C=1C=CC(=CC1)C=C(C(OCC)=O)C#N)C(C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.917568 |
