| SpectraBase Spectrum ID |
LBKGMxRXItf |
| Name |
6-Chloro-1,4-dihydro-1-ethyl-4-oxo-alpha,alpha,alpha-trifluoro-3-quinolinecarboxy-p-toluidide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.069589886 u |
| Formula |
C19H14ClF3N2O2 |
| InChI |
InChI=1S/C19H14ClF3N2O2/c1-2-25-10-15(17(26)14-9-12(20)5-8-16(14)25)18(27)24-13-6-3-11(4-7-13)19(21,22)23/h3-10H,2H2,1H3,(H,24,27) |
| InChIKey |
VJKCLYJOIXMANL-UHFFFAOYSA-N |
| Molecular Weight |
394.781 g/mol |
| SMILES |
N(C(C=1C(C=2C=C(C=CC2N(C1)CC)Cl)=O)=O)C1=CC=C(C=C1)C(F)(F)F |
| Spectrum/Structure Validation Score (Raman) |
0.72644 |
