| SpectraBase Spectrum ID |
2Iu1g3bXya1 |
| Name |
N-(T-Butyl)-2-(3'-methoxyphenyl)-3,3-dicyano-3-(p-nitrophenyl)-propanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.164105200 u |
| Formula |
C22H22N4O4 |
| InChI |
InChI=1S/C22H22N4O4/c1-21(2,3)25-20(27)19(15-6-5-7-18(12-15)30-4)22(13-23,14-24)16-8-10-17(11-9-16)26(28)29/h5-12,19H,1-4H3,(H,25,27) |
| InChIKey |
GUVHYJZNJUPRIT-UHFFFAOYSA-N |
| Molecular Weight |
406.442 g/mol |
| SMILES |
C(C(C(NC(C)(C)C)=O)C=1C=C(OC)C=CC1)(C#N)(C#N)C=1C=CC(N(=O)=O)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837347 |
