SpectraBase Spectrum ID |
GqgG1rKTFgO |
Name |
6-Bromo-7-fluoro-3,4-dihydro-2(1H)-quinolinone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
242.969505011 u |
Formula |
C9H7BrFNO |
InChI |
InChI=1S/C9H7BrFNO/c10-6-3-5-1-2-9(13)12-8(5)4-7(6)11/h3-4H,1-2H2,(H,12,13) |
InChIKey |
QHBQAFBBDSHWLQ-UHFFFAOYSA-N |
Molecular Weight |
244.063 g/mol |
SMILES |
C1(F)=CC2=C(C=C1Br)CCC(N2)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954698 |