| SpectraBase Spectrum ID |
KJkulC27ZN6 |
| Name |
6-Bromo-1,2-diphenyl-3-oxo-3H-pyrrolo[1,2-B]-3-benzazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.041527138 u |
| Formula |
C25H16BrNO |
| InChI |
InChI=1S/C25H16BrNO/c26-21-16-27-22(15-19-13-7-8-14-20(19)21)23(17-9-3-1-4-10-17)24(25(27)28)18-11-5-2-6-12-18/h1-16H |
| InChIKey |
QJYGYPBJDLPCDB-UHFFFAOYSA-N |
| Molecular Weight |
426.313 g/mol |
| SMILES |
C=12N(C(C(=C2C2=CC=CC=C2)C2=CC=CC=C2)=O)C=C(C2=CC=CC=C2C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880592 |
![6-Bromo-1,2-diphenyl-3-oxo-3H-pyrrolo[1,2-b]-3-benzazepine](/api/spectrum/KJkulC27ZN6/structure.png?h=300&w=458 "6-Bromo-1,2-diphenyl-3-oxo-3H-pyrrolo[1,2-b]-3-benzazepine")
