SpectraBase Spectrum ID |
7T5h50seNYO |
Name |
3-(3-Bromophenyl)quinolin-2(1H)-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
298.994576945 u |
Formula |
C15H10BrNO |
InChI |
InChI=1S/C15H10BrNO/c16-12-6-3-5-10(8-12)13-9-11-4-1-2-7-14(11)17-15(13)18/h1-9H,(H,17,18) |
InChIKey |
IZINHCDQZXWOIW-UHFFFAOYSA-N |
Molecular Weight |
300.155 g/mol |
SMILES |
C=1C=CC=2NC(=O)C(=CC2C1)C=1C=C(C=CC1)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963799 |