SpectraBase Spectrum ID |
9mJHgs24Nmd |
Name |
2-Cyano-3-(4-hydroxy-3-methoxyphenyl)propanamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
220.084792251 u |
Formula |
C11H12N2O3 |
InChI |
InChI=1S/C11H12N2O3/c1-16-10-5-7(2-3-9(10)14)4-8(6-12)11(13)15/h2-3,5,8,14H,4H2,1H3,(H2,13,15) |
InChIKey |
SSXZUNAUAQDGKK-UHFFFAOYSA-N |
Molecular Weight |
220.228 g/mol |
SMILES |
C1=C(C=C(C(=C1)O)OC)CC(C(N)=O)C#N |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858053 |