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7-[1-(4-Chlorophenyl)-5-phenyl-4-ethoxycarbonyl-1H-pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SpectraBase Compound ID zT9AVxMMvE
InChI InChI=1S/C23H17ClN6O2/c1-2-32-22(31)19-20(18-12-13-25-23-26-14-27-30(18)23)28-29(17-10-8-16(24)9-11-17)21(19)15-6-4-3-5-7-15/h3-14H,2H2,1H3
InChIKey MWIGZWFBPPWNQC-UHFFFAOYSA-N
Mol Weight 444.88 g/mol
Molecular Formula C23H17ClN6O2
Exact Mass 444.110152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1eAFijfVOc9
Name 7-[1-(4-Chlorophenyl)-5-phenyl-4-ethoxycarbonyl-1H-pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17ClN6O2
InChI InChI=1S/C23H17ClN6O2/c1-2-32-22(31)19-20(18-12-13-25-23-26-14-27-30(18)23)28-29(17-10-8-16(24)9-11-17)21(19)15-6-4-3-5-7-15/h3-14H,2H2,1H3
InChIKey MWIGZWFBPPWNQC-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 444.882 g/mol
SMILES c1(-[n]2nc(C3=CC=Nc4ncn[n]34)c(C(=O)OCC)c2-c2ccccc2)ccc(Cl)cc1
SPLASH splash10-0002-1209300000-2574b3ae7a1e07acbba2
Source of Spectrum ARK-2010-26-7
Wiley ID 1870007