| SpectraBase Spectrum ID |
C0OeDaZ1zH8 |
| Name |
Acetamide, 2-(4-chloro-2-methylphenoxy)-N-(4-cyanomethylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.082205429 u |
| Formula |
C17H15ClN2O2 |
| InChI |
InChI=1S/C17H15ClN2O2/c1-12-10-14(18)4-7-16(12)22-11-17(21)20-15-5-2-13(3-6-15)8-9-19/h2-7,10H,8,11H2,1H3,(H,20,21) |
| InChIKey |
ZAKSWFOOSPCGQJ-UHFFFAOYSA-N |
| Molecular Weight |
314.772 g/mol |
| SMILES |
CC1=C(C=CC(=C1)Cl)OCC(NC1=CC=C(CC#N)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932013 |