SpectraBase Spectrum ID |
1OLdsvewC9x |
Name |
Benzamide, 4-(tert-butyl)-N-(2-cyano-4,5-diethoxyphenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
366.194342702 u |
Formula |
C22H26N2O3 |
InChI |
InChI=1S/C22H26N2O3/c1-6-26-19-12-16(14-23)18(13-20(19)27-7-2)24-21(25)15-8-10-17(11-9-15)22(3,4)5/h8-13H,6-7H2,1-5H3,(H,24,25) |
InChIKey |
NTNVTWXEIPFLLP-UHFFFAOYSA-N |
Molecular Weight |
366.461 g/mol |
SMILES |
C1(NC(C=2C=CC(C(C)(C)C)=CC2)=O)=C(C#N)C=C(C(=C1)OCC)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947141 |