| SpectraBase Spectrum ID |
GmkAh7FSNHr |
| Name |
4-Cyano-N-(4'-tert-butylphenylamido)benzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.141913207 u |
| Formula |
C18H18N2O |
| InChI |
InChI=1S/C18H18N2O/c1-18(2,3)15-8-6-14(7-9-15)17(21)20-16-10-4-13(12-19)5-11-16/h4-11H,1-3H3,(H,20,21) |
| InChIKey |
PRDMRYXDKGUAIW-UHFFFAOYSA-N |
| Molecular Weight |
278.355 g/mol |
| SMILES |
C(NC=1C=CC(C#N)=CC1)(C=1C=CC(C(C)(C)C)=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8841 |
