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2,6-Bis[4-cyano-3-ethoxycarbonyl-1-phenyl-1H-pyrazol-5-yl]pyridine
SpectraBase Compound ID JSGV8b4hz4b
InChI InChI=1S/C31H23N7O4/c1-3-41-30(39)26-22(18-32)28(37(35-26)20-12-7-5-8-13-20)24-16-11-17-25(34-24)29-23(19-33)27(31(40)42-4-2)36-38(29)21-14-9-6-10-15-21/h5-17H,3-4H2,1-2H3
InChIKey WVDNQXARGLWJDP-UHFFFAOYSA-N
Mol Weight 557.57 g/mol
Molecular Formula C31H23N7O4
Exact Mass 557.181152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Nw2s2A9eu0
Name 2,6-Bis[4-cyano-3-ethoxycarbonyl-1-phenyl-1H-pyrazol-5-yl]pyridine
Appearance Yellow needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H23N7O4
InChI InChI=1S/C31H23N7O4/c1-3-41-30(39)26-22(18-32)28(37(35-26)20-12-7-5-8-13-20)24-16-11-17-25(34-24)29-23(19-33)27(31(40)42-4-2)36-38(29)21-14-9-6-10-15-21/h5-17H,3-4H2,1-2H3
InChIKey WVDNQXARGLWJDP-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.b06
Molecular Weight 557.570 g/mol
SMILES c1(nc(ccc1)-c1c(c(n[n]1-c1ccccc1)C(=O)OCC)C#N)-c1[n](nc(c1C#N)C(OCC)=O)-c1ccccc1
SPLASH splash10-0a6r-8020090000-0938f82e536c3196f847
Source of Spectrum ARK-2010-61-11d
Wiley ID 1866762