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Ethyl 3-((E)-1-(2-((Z)-2-cyano-3-(3-nitrophenyl)acryloyl)hydrazono)ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID EI5M86e9i7c
InChI InChI=1S/C30H24N6O5/c1-3-41-30(38)26-27(34-35(24-14-8-5-9-15-24)28(26)22-12-6-4-7-13-22)20(2)32-33-29(37)23(19-31)17-21-11-10-16-25(18-21)36(39)40/h4-18H,3H2,1-2H3,(H,33,37)/b23-17-,32-20+
InChIKey WMGRKAXFFGNDDB-DDBLYCNUSA-N
Mol Weight 548.56 g/mol
Molecular Formula C30H24N6O5
Exact Mass 548.180818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BF16w4VrnGT
Name Ethyl 3-((E)-1-(2-((Z)-2-cyano-3-(3-nitrophenyl)acryloyl)hydrazono)ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate
Alternate Name(s) Ethyl 3-((E)-1-(2-((Z)-2-cyano-3-(3-nitrophenyl)acryloyl)hydrazineylidene)ethyl)-1,5-diphenyl-1H-pyrazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H24N6O5
InChI InChI=1S/C30H24N6O5/c1-3-41-30(38)26-27(34-35(24-14-8-5-9-15-24)28(26)22-12-6-4-7-13-22)20(2)32-33-29(37)23(19-31)17-21-11-10-16-25(18-21)36(39)40/h4-18H,3H2,1-2H3,(H,33,37)/b23-17-,32-20+
InChIKey WMGRKAXFFGNDDB-DDBLYCNUSA-N
Literature Reference DOI 10.3987/COM-15-13370
Molecular Weight 548.559 g/mol
SMILES N(\N=C\(c1n[n](c(c1C(=O)OCC)-c1ccccc1)-c1ccccc1)C)C(\C(=C/c1cc(ccc1)[N+](=O)[O-])C#N)=O
SPLASH splash10-02vj-7049670000-2a8d0b5485e6ce55c122
Source of Spectrum H1-92-657-6f
Wiley ID 1804124