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8-p-methoxybenzoyl-7-p-chlorophenyl-3-phenyl-1H-pyrazolo[5,1-c][1,2,4]triazin-4-one
SpectraBase Compound ID 10dbAVJMXfl
InChI InChI=1S/C25H17ClN4O3/c1-33-19-13-9-17(10-14-19)23(31)20-21(16-7-11-18(26)12-8-16)29-30-24(20)28-27-22(25(30)32)15-5-3-2-4-6-15/h2-14,28H,1H3
InChIKey KTAAXXIRVOKGDS-UHFFFAOYSA-N
Mol Weight 456.89 g/mol
Molecular Formula C25H17ClN4O3
Exact Mass 456.098918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDZFbb1FOdo
Name 8-p-methoxybenzoyl-7-p-chlorophenyl-3-phenyl-1H-pyrazolo[5,1-c][1,2,4]triazin-4-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H17ClN4O3
InChI InChI=1S/C25H17ClN4O3/c1-33-19-13-9-17(10-14-19)23(31)20-21(16-7-11-18(26)12-8-16)29-30-24(20)28-27-22(25(30)32)15-5-3-2-4-6-15/h2-14,28H,1H3
InChIKey KTAAXXIRVOKGDS-UHFFFAOYSA-N
Molecular Weight 456.889 g/mol
SMILES N1N=C(C([n]2c1c(c(n2)-c1ccc(cc1)Cl)C(c1ccc(cc1)OC)=O)=O)c1ccccc1
SPLASH splash10-0a4i-0000900000-607b50af6c36c3641f7f
Source of Spectrum F-67-6270-19h
Wiley ID 1687562