| SpectraBase Spectrum ID |
B1FY9vu9Ii2 |
| Name |
11-(4-Methylphenyl)-3-phenyl-10-propionyl-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 |
436.215078148 u |
| Formula |
C29H28N2O2 |
| InChI |
InChI=1S/C29H28N2O2/c1-3-27(33)31-25-12-8-7-11-23(25)30-24-17-22(20-9-5-4-6-10-20)18-26(32)28(24)29(31)21-15-13-19(2)14-16-21/h4-16,22,29-30H,3,17-18H2,1-2H3 |
| InChIKey |
XXOXHKPAFDFNLX-UHFFFAOYSA-N |
| Molecular Weight |
436.555 g/mol |
| SMILES |
C12=C(NC3=CC=CC=C3N(C2C2=CC=C(C=C2)C)C(=O)CC)CC(CC1=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89042 |
![11-(4-methylphenyl)-3-phenyl-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one](/api/spectrum/B1FY9vu9Ii2/structure.png?h=300&w=458 "11-(4-methylphenyl)-3-phenyl-10-propionyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one")
