| SpectraBase Spectrum ID |
4HQXJ5q6vd9 |
| Name |
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 |
235.064471346 u |
| Formula |
C12H10FNO3 |
| InChI |
InChI=1S/C12H10FNO3/c1-2-17-12(16)9-6-14-10-5-7(13)3-4-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15) |
| InChIKey |
LDZCUWZFXKDMHH-UHFFFAOYSA-N |
| Molecular Weight |
235.214 g/mol |
| SMILES |
C=1(C(C=2C=CC(=CC2NC1)F)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835195 |
