| SpectraBase Spectrum ID |
DBrCLffP1HR |
| Name |
9-Bromo-7-phenyl-3,5-dihydro-3,4,6,11B-tetraaza-dibenzo[A,C]cyclohepten-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.027274054 u |
| Formula |
C17H13BrN4O |
| InChI |
InChI=1S/C17H13BrN4O/c18-12-6-7-14-13(8-12)17(11-4-2-1-3-5-11)19-9-15-20-21-16(23)10-22(14)15/h1-8H,9-10H2,(H,21,23) |
| InChIKey |
PAYOWCZEBLGBNH-UHFFFAOYSA-N |
| Molecular Weight |
369.222 g/mol |
| SMILES |
C1=2N3C(CN=C(C2C=C(Br)C=C1)C1=CC=CC=C1)=NNC(C3)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84405 |
![9-Bromo-7-phenyl-3,5-dihydro-3,4,6,11B-tetraaza-dibenzo[A,C]cyclohepten-2-one](/api/spectrum/DBrCLffP1HR/structure.png?h=300&w=458 "9-Bromo-7-phenyl-3,5-dihydro-3,4,6,11B-tetraaza-dibenzo[A,C]cyclohepten-2-one")
