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5-[(4-Ethoxycarbonyl-1-(4-chlorophenyl)-5-phenyl-pyrazol-3-yl)]-isoxazole
SpectraBase Compound ID BPqNuYGYwXy
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
Mol Weight 393.83 g/mol
Molecular Formula C21H16ClN3O3
Exact Mass 393.088019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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