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2,6-Bis[1-(4-chlorophenyl)-4-cyano-3-ethoxycarbonyl-1H-pyrazol-5-yl]pyridine
SpectraBase Compound ID ByU56V9kZiG
InChI InChI=1S/C31H21Cl2N7O4/c1-3-43-30(41)26-22(16-34)28(39(37-26)20-12-8-18(32)9-13-20)24-6-5-7-25(36-24)29-23(17-35)27(31(42)44-4-2)38-40(29)21-14-10-19(33)11-15-21/h5-15H,3-4H2,1-2H3
InChIKey RCOANVNYLLTPMB-UHFFFAOYSA-N
Mol Weight 626.46 g/mol
Molecular Formula C31H21Cl2N7O4
Exact Mass 625.103208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7EcdArGmvqC
Name 2,6-Bis[1-(4-chlorophenyl)-4-cyano-3-ethoxycarbonyl-1H-pyrazol-5-yl]pyridine
Appearance Yellow solid
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Formula C31H21Cl2N7O4
InChI InChI=1S/C31H21Cl2N7O4/c1-3-43-30(41)26-22(16-34)28(39(37-26)20-12-8-18(32)9-13-20)24-6-5-7-25(36-24)29-23(17-35)27(31(42)44-4-2)38-40(29)21-14-10-19(33)11-15-21/h5-15H,3-4H2,1-2H3
InChIKey RCOANVNYLLTPMB-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.b06
Molecular Weight 626.460 g/mol
SMILES c1(nc(ccc1)-c1c(c(n[n]1-c1ccc(cc1)Cl)C(=O)OCC)C#N)-c1[n](nc(c1C#N)C(OCC)=O)-c1ccc(cc1)Cl
SPLASH splash10-03dr-5090123000-2a3d4cdb6d00bc0d7293
Source of Spectrum ARK-2010-61-11f
Wiley ID 1866763