| SpectraBase Spectrum ID |
86zN3KufynS |
| Name |
2-Chloro-N-(3-hydroxypropyl)-N-(6-methyl-2-oxo-1,2-dihydroquinolin-3-ylmethyl)benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.124070241 u |
| Formula |
C21H21ClN2O3 |
| InChI |
InChI=1S/C21H21ClN2O3/c1-14-7-8-19-15(11-14)12-16(20(26)23-19)13-24(9-4-10-25)21(27)17-5-2-3-6-18(17)22/h2-3,5-8,11-12,25H,4,9-10,13H2,1H3,(H,23,26) |
| InChIKey |
UPRSVRFGUXNOIF-UHFFFAOYSA-N |
| Molecular Weight |
384.863 g/mol |
| SMILES |
C12=C(NC(C(=C2)CN(C(C2=C(C=CC=C2)Cl)=O)CCCO)=O)C=CC(=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810709 |
