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2,6-Bis[3-acetyl-4-cyano-1-phenyl-1H-pyazol-5-yl]pyridine
SpectraBase Compound ID Hi5S1nBSshm
InChI InChI=1S/C29H19N7O2/c1-18(37)26-22(16-30)28(35(33-26)20-10-5-3-6-11-20)24-14-9-15-25(32-24)29-23(17-31)27(19(2)38)34-36(29)21-12-7-4-8-13-21/h3-15H,1-2H3
InChIKey ZRKSUDFMSXSVEO-UHFFFAOYSA-N
Mol Weight 497.52 g/mol
Molecular Formula C29H19N7O2
Exact Mass 497.160023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JabiDzT31XF
Name 2,6-Bis[3-acetyl-4-cyano-1-phenyl-1H-pyazol-5-yl]pyridine
Appearance Yellow micro crystals
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Formula C29H19N7O2
InChI InChI=1S/C29H19N7O2/c1-18(37)26-22(16-30)28(35(33-26)20-10-5-3-6-11-20)24-14-9-15-25(32-24)29-23(17-31)27(19(2)38)34-36(29)21-12-7-4-8-13-21/h3-15H,1-2H3
InChIKey ZRKSUDFMSXSVEO-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.b06
Molecular Weight 497.518 g/mol
SMILES c1(nc(ccc1)-c1c(c(n[n]1-c1ccccc1)C(=O)C)C#N)-c1[n](nc(c1C#N)C(C)=O)-c1ccccc1
SPLASH splash10-0007-9442300000-d8a598376105f44dd596
Source of Spectrum ARK-2010-61-11a
Wiley ID 1866759