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2,6-Bis(4-(ethoxycarbonyl)-3-acetyl-1-(4-methylphenyl)-1H-pyrazol-5-yl)pyridine
SpectraBase Compound ID 6d77xyGeXqq
InChI InChI=1S/C35H33N5O6/c1-7-45-34(43)28-30(22(5)41)37-39(24-16-12-20(3)13-17-24)32(28)26-10-9-11-27(36-26)33-29(35(44)46-8-2)31(23(6)42)38-40(33)25-18-14-21(4)15-19-25/h9-19H,7-8H2,1-6H3
InChIKey CYXRAJPAPXKIAK-UHFFFAOYSA-N
Mol Weight 619.7 g/mol
Molecular Formula C35H33N5O6
Exact Mass 619.243084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nvdyMfyoqd
Name 2,6-Bis(4-(ethoxycarbonyl)-3-acetyl-1-(4-methylphenyl)-1H-pyrazol-5-yl)pyridine
Appearance Yellow crystals
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Formula C35H33N5O6
InChI InChI=1S/C35H33N5O6/c1-7-45-34(43)28-30(22(5)41)37-39(24-16-12-20(3)13-17-24)32(28)26-10-9-11-27(36-26)33-29(35(44)46-8-2)31(23(6)42)38-40(33)25-18-14-21(4)15-19-25/h9-19H,7-8H2,1-6H3
InChIKey CYXRAJPAPXKIAK-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.775
Molecular Weight 619.678 g/mol
SMILES C(C)OC(=O)c1c(n[n](c1-c1nc(ccc1)-c1[n](-c2ccc(C)cc2)nc(C(C)=O)c1C(=O)OCC)-c1ccc(cc1)C)C(C)=O
SPLASH splash10-008c-3000091000-308208558281d89ad579
Source of Spectrum ARK-2014-405-5b
Wiley ID 1843322