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2,6-Bis[3-acetyl-1-(4-chloropheny)-4-cyano-1H-pyazol-5-yl]pyridine
SpectraBase Compound ID 3sNRyHajyH8
InChI InChI=1S/C29H17Cl2N7O2/c1-16(39)26-22(14-32)28(37(35-26)20-10-6-18(30)7-11-20)24-4-3-5-25(34-24)29-23(15-33)27(17(2)40)36-38(29)21-12-8-19(31)9-13-21/h3-13H,1-2H3
InChIKey LQFKRTIIQRCQPO-UHFFFAOYSA-N
Mol Weight 566.41 g/mol
Molecular Formula C29H17Cl2N7O2
Exact Mass 565.082078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COkRTwPmrGe
Name 2,6-Bis[3-acetyl-1-(4-chloropheny)-4-cyano-1H-pyazol-5-yl]pyridine
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H17Cl2N7O2
InChI InChI=1S/C29H17Cl2N7O2/c1-16(39)26-22(14-32)28(37(35-26)20-10-6-18(30)7-11-20)24-4-3-5-25(34-24)29-23(15-33)27(17(2)40)36-38(29)21-12-8-19(31)9-13-21/h3-13H,1-2H3
InChIKey LQFKRTIIQRCQPO-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0011.b06
Molecular Weight 566.408 g/mol
SMILES c1(nc(ccc1)-c1c(c(n[n]1-c1ccc(cc1)Cl)C(=O)C)C#N)-c1[n](nc(c1C#N)C(C)=O)-c1ccc(cc1)Cl
SPLASH splash10-0ikd-0923240000-daa4fa788abc520763b0
Source of Spectrum ARK-2010-61-11c
Wiley ID 1866761