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3,5-Bis(4-nitrophenyl)-1-mesityl-1H-pyrazole
SpectraBase Compound ID GfxIAVmQ4Nb
InChI InChI=1S/C24H20N4O4/c1-15-12-16(2)24(17(3)13-15)26-23(19-6-10-21(11-7-19)28(31)32)14-22(25-26)18-4-8-20(9-5-18)27(29)30/h4-14H,1-3H3
InChIKey UOFPHYQMSAYGMT-UHFFFAOYSA-N
Mol Weight 428.45 g/mol
Molecular Formula C24H20N4O4
Exact Mass 428.148455 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6PS9lrOp0V
Name 3,5-Bis(4-nitrophenyl)-1-mesityl-1H-pyrazole
Appearance Yellow solid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H20N4O4
GC Column HP-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C24H20N4O4/c1-15-12-16(2)24(17(3)13-15)26-23(19-6-10-21(11-7-19)28(31)32)14-22(25-26)18-4-8-20(9-5-18)27(29)30/h4-14H,1-3H3
InChIKey UOFPHYQMSAYGMT-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.201502995
Molecular Weight 428.448 g/mol
Quality 152
Reported Formula C24H20N4O4
SMILES C1(=NN(C(=C1)C1=CC=C(C=C1)[N+]([O-])=O)C1=C(C=C(C=C1C)C)C)C1=CC=C(C=C1)[N+]([O-])=O
SPLASH splash10-000t-1129000000-546efadde01004a90731
Source of Spectrum QE-21-SM49-3f (DOI: 10.1002/chem.201502995)
Thin-Layer Chromatography 0.56 (hexane/EtOAc, 4:1)
Wiley ID 1907311