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Benzonitrile, 4-[[4-[[4-(diethylamino)-2-methylphenyl]imino]-4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]-

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Benzonitrile, 4-[[4-[[4-(diethylamino)-2-methylphenyl]imino]-4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]-
SpectraBase Compound ID 6KWTutTXjWU
InChI InChI=1S/C27H23Cl3N6O/c1-4-35(5-2)20-10-11-23(16(3)12-20)33-24-26(32-19-8-6-17(15-31)7-9-19)34-36(27(24)37)25-21(29)13-18(28)14-22(25)30/h6-14H,4-5H2,1-3H3,(H,32,34)/b33-24+
InChIKey LILGFZXZWDFJSN-IWBSIUBASA-N
Mol Weight 553.88 g/mol
Molecular Formula C27H23Cl3N6O
Exact Mass 552.099892 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhwhZF9JoMI
Name Benzonitrile, 4-[[4-[[4-(diethylamino)-2-methylphenyl]imino]-4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23Cl3N6O
InChI InChI=1S/C27H23Cl3N6O/c1-4-35(5-2)20-10-11-23(16(3)12-20)33-24-26(32-19-8-6-17(15-31)7-9-19)34-36(27(24)37)25-21(29)13-18(28)14-22(25)30/h6-14H,4-5H2,1-3H3,(H,32,34)/b33-24+
InChIKey LILGFZXZWDFJSN-IWBSIUBASA-N
Molecular Weight 553.881 g/mol
SMILES N(C=1\C(=N/c2ccc(N(CC)CC)cc2C)C(N(N1)c1c(Cl)cc(Cl)cc1Cl)=O)c1ccc(C#N)cc1
SPLASH splash10-00kb-5900010000-556108761f12c964cb4d
Source of Spectrum JX-2015-4-1172
Synonyms 4-((4-((4-(diethylamino)-2-methylphenyl)imino)-5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)amino)benzonitrile
Wiley ID 1726566