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5-methyl-4-[1-(4-nitroanilino)ethylidene]-2,5-diphenyl-pyrazolidin-3-one
SpectraBase Compound ID 3PkV4zfwpTF
InChI InChI=1S/C24H22N4O3/c1-17(25-19-13-15-21(16-14-19)28(30)31)22-23(29)27(20-11-7-4-8-12-20)26-24(22,2)18-9-5-3-6-10-18/h3-16,25-26H,1-2H3
InChIKey UTSAOSUQONHSEB-UHFFFAOYSA-N
Mol Weight 414.47 g/mol
Molecular Formula C24H22N4O3
Exact Mass 414.169191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IzKRRDXqiM
Name 5-methyl-4-[1-(4-nitroanilino)ethylidene]-2,5-diphenyl-pyrazolidin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.169190581 u
Formula C24H22N4O3
InChI InChI=1S/C24H22N4O3/c1-17(25-19-13-15-21(16-14-19)28(30)31)22-23(29)27(20-11-7-4-8-12-20)26-24(22,2)18-9-5-3-6-10-18/h3-16,25-26H,1-2H3
InChIKey UTSAOSUQONHSEB-UHFFFAOYSA-N
Instrument Name VG ZabSpec
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.510
Molecular Weight 414.465 g/mol
Quality 272
SMILES N1C(C(=C(NC2=CC=C(C=C2)[N+]([O-])=O)C)C(N1C1=CC=CC=C1)=O)(C)C1=CC=CC=C1
SPLASH splash10-03di-1395400000-6fa830b5d0493a0d1b30
Source of Spectrum ARK-2003-108-9h (DOI: 10.3998/ark.5550190.0004.510)
Thin-Layer Chromatography 0.62 (benzene/acetonitrile, 1:1)
Wiley ID 1899955