| SpectraBase Spectrum ID |
EWlcapxL0od |
| Name |
2-Benzyl-N-(tert-butyl)-4-(4-nitrophenyl)-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 |
469.200156357 u |
| Formula |
C28H27N3O4 |
| InChI |
InChI=1S/C28H27N3O4/c1-28(2,3)29-26(32)25-24(20-13-15-22(16-14-20)31(34)35)17-21-11-7-8-12-23(21)27(33)30(25)18-19-9-5-4-6-10-19/h4-17,25H,18H2,1-3H3,(H,29,32) |
| InChIKey |
HCPKJGOKYFZSPR-UHFFFAOYSA-N |
| Molecular Weight |
469.541 g/mol |
| SMILES |
C=1C=C2C(=CC1)C=C(C(N(C2=O)CC1=CC=CC=C1)C(NC(C)(C)C)=O)C1=CC=C(C=C1)[N+](=O)[O-] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903451 |
