| SpectraBase Spectrum ID |
LKXOSpEja19 |
| Name |
N-Benzyl-2,4,4-trimethyl-8-nitro-2,3,4,5-tetrahydro-1H-benzo[B][1,4]diazepine-2-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.184840646 u |
| Formula |
C20H24N4O3 |
| InChI |
InChI=1S/C20H24N4O3/c1-19(2)13-20(3,18(25)21-12-14-7-5-4-6-8-14)23-17-11-15(24(26)27)9-10-16(17)22-19/h4-11,22-23H,12-13H2,1-3H3,(H,21,25) |
| InChIKey |
OPSROPFAZBJYRK-UHFFFAOYSA-N |
| Molecular Weight |
368.437 g/mol |
| SMILES |
C=12NC(CC(NC2=CC=C(C1)N(=O)=O)(C)C)(C(=O)NCC=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902892 |
![N-Benzyl-2,4,4-trimethyl-8-nitro-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-2-carboxamide](/api/spectrum/LKXOSpEja19/structure.png?h=300&w=458 "N-Benzyl-2,4,4-trimethyl-8-nitro-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepine-2-carboxamide")
