| SpectraBase Spectrum ID |
7VOdfqa53Oa |
| Name |
2H-Quinoline-1-carboxylic acid, 6-ethyl-2,2,4-trimethyl-, (4-fluorophenyl)amide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.179441531 u |
| Formula |
C21H23FN2O |
| InChI |
InChI=1S/C21H23FN2O/c1-5-15-6-11-19-18(12-15)14(2)13-21(3,4)24(19)20(25)23-17-9-7-16(22)8-10-17/h6-13H,5H2,1-4H3,(H,23,25) |
| InChIKey |
QJUIXSAMOIEGJV-UHFFFAOYSA-N |
| Molecular Weight |
338.426 g/mol |
| SMILES |
CCC1=CC2=C(N(C(NC=3C=CC(=CC3)F)=O)C(C=C2C)(C)C)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819966 |
