| SpectraBase Spectrum ID |
1bXwAlYcB8x |
| Name |
11-(3-Bromo-4-fluorophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[B,E][1,4]diazepin-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
462.074304434 u |
| Formula |
C25H20BrFN2O |
| InChI |
InChI=1S/C25H20BrFN2O/c26-18-12-16(10-11-19(18)27)25-24-22(28-20-8-4-5-9-21(20)29-25)13-17(14-23(24)30)15-6-2-1-3-7-15/h1-12,17,25,28-29H,13-14H2 |
| InChIKey |
INSVBKASFRTAHE-UHFFFAOYSA-N |
| Molecular Weight |
463.350 g/mol |
| SMILES |
C12=C(NC3=CC=CC=C3NC2C=2C=C(Br)C(=CC2)F)CC(CC1=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878176 |
![11-(3-Bromo-4-fluorophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one](/api/spectrum/1bXwAlYcB8x/structure.png?h=300&w=458 "11-(3-Bromo-4-fluorophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one")
