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1H-Pyrazole, 1-(2,4-dinitrophenyl)-3-(4-methoxyphenyl)-5-phenyl-
SpectraBase Compound ID I6qcZODoMB0
InChI InChI=1S/C22H16N4O5/c1-31-18-10-7-15(8-11-18)19-14-21(16-5-3-2-4-6-16)24(23-19)20-12-9-17(25(27)28)13-22(20)26(29)30/h2-14H,1H3
InChIKey MJIHSCZXXCPFED-UHFFFAOYSA-N
Mol Weight 416.39 g/mol
Molecular Formula C22H16N4O5
Exact Mass 416.11207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7eFi0SkAE0b
Name 1H-Pyrazole, 1-(2,4-dinitrophenyl)-3-(4-methoxyphenyl)-5-phenyl-
CAS Registry Number 113685-71-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H16N4O5
InChI InChI=1S/C22H16N4O5/c1-31-18-10-7-15(8-11-18)19-14-21(16-5-3-2-4-6-16)24(23-19)20-12-9-17(25(27)28)13-22(20)26(29)30/h2-14H,1H3
InChIKey MJIHSCZXXCPFED-UHFFFAOYSA-N
Molecular Weight 416.393 g/mol
SMILES c1(n[n](c(c1)-c1ccccc1)-c1c(N(=O)=O)cc(N(=O)=O)cc1)-c1ccc(cc1)OC
SPLASH splash10-014i-0000900000-694ab3a458f99386a4c5
Source of Spectrum J-53-1978-3
Synonyms 1-(2,4-dinitrophenyl)-3-(4-methoxyphenyl)-5-phenyl-1H-pyrazole 1-(2,4-Dinitrophenyl)-3-(p-methoxyphenyl)-5-phenyl-pyrazole 4-[1-(2,4-dinitrophenyl)-5-phenyl-1H-pyrazol-3-yl]phenyl methyl ether
Wiley ID 1376281