SpectraBase Spectrum ID |
7zdO8VUJQc6 |
Name |
7-(4-Bromophenyl)-6-methoxyquinolin-2(1H)-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
329.005141628 u |
Formula |
C16H12BrNO2 |
InChI |
InChI=1S/C16H12BrNO2/c1-20-15-8-11-4-7-16(19)18-14(11)9-13(15)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,18,19) |
InChIKey |
GEUNZCGMERTFOD-UHFFFAOYSA-N |
Molecular Weight |
330.181 g/mol |
SMILES |
C1=2NC(C=CC1=CC(=C(C2)C=1C=CC(=CC1)Br)OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9148 |