| SpectraBase Spectrum ID |
A2Bwbj5194Y |
| Name |
1-(4-Chlorophenyl)-2,2-diphenyl-1,2,8,9-tetrahydroazeto[2,1-B][1,3]benzodiazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.154976449 u |
| Formula |
C29H23ClN2 |
| InChI |
InChI=1S/C29H23ClN2/c30-25-17-15-22(16-18-25)27-29(23-10-3-1-4-11-23,24-12-5-2-6-13-24)28-31-26-14-8-7-9-21(26)19-20-32(27)28/h1-18,27H,19-20H2 |
| InChIKey |
RBXPNIWJPUMOFK-UHFFFAOYSA-N |
| Molecular Weight |
434.970 g/mol |
| SMILES |
C=12C(C3=CC=CC=C3)(C3=CC=CC=C3)C(N2CCC=2C(N1)=CC=CC2)C=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932212 |
![1-(4-Chlorophenyl)-2,2-diphenyl-1,2,8,9-tetrahydroazeto[2,1-b][1,3]benzodiazepine](/api/spectrum/A2Bwbj5194Y/structure.png?h=300&w=458 "1-(4-Chlorophenyl)-2,2-diphenyl-1,2,8,9-tetrahydroazeto[2,1-b][1,3]benzodiazepine")
