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3-[1-p-Chlorophenyl-3-ethoxycarbonyl-5-methyl-1H-pyrazole-4-carbonyl]-7-phenyl-pyrazolo[5,1-c][1,2,4]triazine
SpectraBase Compound ID 8L9IvpEBnlx
InChI InChI=1S/C25H19ClN6O3/c1-3-35-25(34)23-22(15(2)32(30-23)18-11-9-17(26)10-12-18)24(33)20-14-31-21(28-27-20)13-19(29-31)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3
InChIKey MCYGEUIVQBGHDG-UHFFFAOYSA-N
Mol Weight 486.92 g/mol
Molecular Formula C25H19ClN6O3
Exact Mass 486.120716 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58wnRDahfFp
Name 3-[1-p-Chlorophenyl-3-ethoxycarbonyl-5-methyl-1H-pyrazole-4-carbonyl]-7-phenyl-pyrazolo[5,1-c][1,2,4]triazine
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H19ClN6O3
InChI InChI=1S/C25H19ClN6O3/c1-3-35-25(34)23-22(15(2)32(30-23)18-11-9-17(26)10-12-18)24(33)20-14-31-21(28-27-20)13-19(29-31)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3
InChIKey MCYGEUIVQBGHDG-UHFFFAOYSA-N
Instrument Name GC??MS QP1000 EX Shimadzu
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3415
Molecular Weight 486.919 g/mol
SMILES c1(n[n](c(c1C(=O)C=1N=Nc2[n](C1)nc(c2)-c1ccccc1)C)-c1ccc(cc1)Cl)C(OCC)=O
SPLASH splash10-004i-8921100000-bbe68828c14fca2bfafb
Source of Spectrum Y-56-430-8d
Wiley ID 1859376