| SpectraBase Spectrum ID |
6zgeS5SmNex |
| Name |
2-Benzyl-N-(tert-butyl)-4-(p-tolyl)-2,3-dihydro-1H-2-benzazepin- 1-one-3-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.230728212 u |
| Formula |
C29H30N2O2 |
| InChI |
InChI=1S/C29H30N2O2/c1-20-14-16-22(17-15-20)25-18-23-12-8-9-13-24(23)28(33)31(19-21-10-6-5-7-11-21)26(25)27(32)30-29(2,3)4/h5-18,26H,19H2,1-4H3,(H,30,32) |
| InChIKey |
WVHCNPFIAXSJAD-UHFFFAOYSA-N |
| Molecular Weight |
438.571 g/mol |
| SMILES |
C=1C=C2C(C=C(C(N(C2=O)CC2=CC=CC=C2)C(NC(C)(C)C)=O)C2=CC=C(C=C2)C)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837599 |
