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2-[3-Thienyl-1-(4-nitrophenyl)-5-oxo-pyrazol-4-yl]-perimidine
SpectraBase Compound ID DmxIHrJV1Jx
InChI InChI=1S/C24H15N5O3S/c30-24-21(23-25-18-5-1-3-14-4-2-6-19(26-23)20(14)18)22(15-11-12-33-13-15)27-28(24)16-7-9-17(10-8-16)29(31)32/h1-13,25-26H
InChIKey SZZXCFBGNBRZMZ-UHFFFAOYSA-N
Mol Weight 453.48 g/mol
Molecular Formula C24H15N5O3S
Exact Mass 453.089561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BisF6RuAiLh
Name 2-[3-Thienyl-1-(4-nitrophenyl)-5-oxo-pyrazol-4-yl]-perimidine
Appearance Dark green solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H15N5O3S
InChI InChI=1S/C24H15N5O3S/c30-24-21(23-25-18-5-1-3-14-4-2-6-19(26-23)20(14)18)22(15-11-12-33-13-15)27-28(24)16-7-9-17(10-8-16)29(31)32/h1-13,25-26H
InChIKey SZZXCFBGNBRZMZ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-Q1000-EX/GCMS 5988-A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2151
Molecular Weight 453.476 g/mol
SMILES N1c2cccc3cccc(NC1=C1C(=NN(C1=O)c1ccc(cc1)[N+](=O)[O-])c1cscc1)c23
SPLASH splash10-0udi-0110900000-b4f3ca12efca3633191d
Source of Spectrum Y-53-912-5e
Wiley ID 1876410