| SpectraBase Spectrum ID |
AT16eNyylEC |
| Name |
1-(4-Bromo-phenyl)-2-(3,6-dinitro-4-phenyl-1H-quinolin-2-ylidene)-ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
491.011683558 u |
| Formula |
C23H14BrN3O5 |
| InChI |
InChI=1S/C23H14BrN3O5/c24-16-8-6-14(7-9-16)21(28)13-20-23(27(31)32)22(15-4-2-1-3-5-15)18-12-17(26(29)30)10-11-19(18)25-20/h1-13,25H/b20-13- |
| InChIKey |
QEWPQGQQHPQLIW-MOSHPQCFSA-N |
| Molecular Weight |
492.285 g/mol |
| SMILES |
C1=C(C=C2C(=C1)N\C(=C/C(C1=CC=C(C=C1)Br)=O)C(=C2C1=CC=CC=C1)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938881 |
