SpectraBase Spectrum ID |
DozH4q27vmY |
Name |
5-[(4-Ethoxycarbonyl-1-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl)]-isoxazole |
Appearance |
Yellow crystals |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H16ClN3O3 |
InChI |
InChI=1S/C21H16ClN3O3/c1-2-27-21(26)18-19(17-12-13-23-28-17)24-25(16-10-8-15(22)9-11-16)20(18)14-6-4-3-5-7-14/h3-13H,2H2,1H3 |
InChIKey |
WBUGEDQRTCLWBP-UHFFFAOYSA-N |
Instrument Name |
GCMS-Q1000-EX Shimadzu or GCMS 5988-A HP |
Ionization Type |
EI |
Literature Reference DOI |
10.3998/ark.5550190.0011.903 |
Molecular Weight |
393.830 g/mol |
SMILES |
c1([n](nc(c1C(OCC)=O)-c1oncc1)-c1ccc(cc1)Cl)-c1ccccc1 |
SPLASH |
splash10-03fs-1219000000-67e9b41c15706175e86a |
Source of Spectrum |
ARK-2010-26-4 |
Wiley ID |
1870005 |