| SpectraBase Spectrum ID |
5vefVNkSjKU |
| Name |
2-(4-Chloranyl-3,5-dimethyl-phenoxy)-N-(2-cyano-4,5-diethoxy-phenyl)ethanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.134634925 u |
| Formula |
C21H23ClN2O4 |
| InChI |
InChI=1S/C21H23ClN2O4/c1-5-26-18-9-15(11-23)17(10-19(18)27-6-2)24-20(25)12-28-16-7-13(3)21(22)14(4)8-16/h7-10H,5-6,12H2,1-4H3,(H,24,25) |
| InChIKey |
ADPKIGDGPKVIBA-UHFFFAOYSA-N |
| Molecular Weight |
402.878 g/mol |
| SMILES |
C=1(C(C#N)=CC(=C(C1)OCC)OCC)NC(=O)COC1=CC(C)=C(C(=C1)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966985 |
