| SpectraBase Spectrum ID |
LCwkKE7oek5 |
| Name |
6-Bromo-7-fluoro-4-keto-1H-quinoline-3-carboxylic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.974984314 u |
| Formula |
C12H9BrFNO3 |
| InChI |
InChI=1S/C12H9BrFNO3/c1-2-18-12(17)7-5-15-10-4-9(14)8(13)3-6(10)11(7)16/h3-5H,2H2,1H3,(H,15,16) |
| InChIKey |
LMQDIXWMOUCVKZ-UHFFFAOYSA-N |
| Molecular Weight |
314.110 g/mol |
| SMILES |
C=1NC=2C=C(C(=CC2C(C1C(=O)OCC)=O)Br)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81045 |
