| SpectraBase Spectrum ID |
LaI2pFthSj6 |
| Name |
1-(3-Butyl-1,2-dihydro-2-oxo-1-phenylquinolin-4-yl)urea |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.163376926 u |
| Formula |
C20H21N3O2 |
| InChI |
InChI=1S/C20H21N3O2/c1-2-3-11-16-18(22-20(21)25)15-12-7-8-13-17(15)23(19(16)24)14-9-5-4-6-10-14/h4-10,12-13H,2-3,11H2,1H3,(H3,21,22,25) |
| InChIKey |
MXGSCGYRFNWMCM-UHFFFAOYSA-N |
| Molecular Weight |
335.407 g/mol |
| SMILES |
C(NC1=C(C(N(C=2C=CC=CC12)C=1C=CC=CC1)=O)CCCC)(=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935224 |
