| SpectraBase Spectrum ID |
42SACDxZtg |
| Name |
1-(7-Chloroquinolin-4-yl)-4-(2-hydroxy-3,5-dimethylbenzoyl)-1H-pyrazole |
| Appearance |
Yellow crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H16ClN3O2 |
| InChI |
InChI=1S/C21H16ClN3O2/c1-12-7-13(2)20(26)17(8-12)21(27)14-10-24-25(11-14)19-5-6-23-18-9-15(22)3-4-16(18)19/h3-11,26H,1-2H3 |
| InChIKey |
DPTRGQDLLFKAHS-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu 2010 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.3975 |
| Molecular Weight |
377.831 g/mol |
| SMILES |
Oc1c(C(c2cn[n](c2)-c2ccnc3cc(ccc23)Cl)=O)cc(cc1C)C |
| SPLASH |
splash10-00fs-2902000000-71988740a7afdf350f64 |
| Source of Spectrum |
Y-57-2581-10 |
| Wiley ID |
1860194 |
