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2,6-Bis(4-(ethoxycarbonyl)-3-acetyl-1-phenyl-1H-pyrazol-5-yl)pyridine
SpectraBase Compound ID GvvtF5Kdmbc
InChI InChI=1S/C33H29N5O6/c1-5-43-32(41)26-28(20(3)39)35-37(22-14-9-7-10-15-22)30(26)24-18-13-19-25(34-24)31-27(33(42)44-6-2)29(21(4)40)36-38(31)23-16-11-8-12-17-23/h7-19H,5-6H2,1-4H3
InChIKey UZYKZUJBUGQJAF-UHFFFAOYSA-N
Mol Weight 591.6 g/mol
Molecular Formula C33H29N5O6
Exact Mass 591.211784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3wb8aPn7KWb
Name 2,6-Bis(4-(ethoxycarbonyl)-3-acetyl-1-phenyl-1H-pyrazol-5-yl)pyridine
Appearance Pale yellow crystals
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Formula C33H29N5O6
InChI InChI=1S/C33H29N5O6/c1-5-43-32(41)26-28(20(3)39)35-37(22-14-9-7-10-15-22)30(26)24-18-13-19-25(34-24)31-27(33(42)44-6-2)29(21(4)40)36-38(31)23-16-11-8-12-17-23/h7-19H,5-6H2,1-4H3
InChIKey UZYKZUJBUGQJAF-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.775
Molecular Weight 591.624 g/mol
SMILES C(C)OC(=O)c1c(n[n](c1-c1nc(ccc1)-c1[n](-c2ccccc2)nc(C(C)=O)c1C(=O)OCC)-c1ccccc1)C(C)=O
SPLASH splash10-002f-5011290000-35ca6da6a973766cfcd5
Source of Spectrum ARK-2014-404-5a
Wiley ID 1843321