| SpectraBase Spectrum ID |
8Ce5ydyreEY |
| Name |
8-Bromo-4-keto-7-methoxy-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 |
324.994970866 u |
| Formula |
C13H12BrNO4 |
| InChI |
InChI=1S/C13H12BrNO4/c1-3-19-13(17)8-6-15-11-7(12(8)16)4-5-9(18-2)10(11)14/h4-6H,3H2,1-2H3,(H,15,16) |
| InChIKey |
XCSFWCFFXJGACS-UHFFFAOYSA-N |
| Molecular Weight |
326.146 g/mol |
| SMILES |
C=1NC=2C(=C(C=CC2C(C1C(=O)OCC)=O)OC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950734 |
