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4-(2,4-dichlorophenyl)-2-methyl-6-(4-phenyl-1-piperazinyl)benzonitrile
SpectraBase Compound ID 5NSDDjz66PN
InChI InChI=1S/C24H21Cl2N3/c1-17-13-18(21-8-7-19(25)15-23(21)26)14-24(22(17)16-27)29-11-9-28(10-12-29)20-5-3-2-4-6-20/h2-8,13-15H,9-12H2,1H3
InChIKey XWYRBABOPFJOQL-UHFFFAOYSA-N
Mol Weight 422.36 g/mol
Molecular Formula C24H21Cl2N3
Exact Mass 421.111253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90RTvt5zlh1
Name 4-(2,4-dichlorophenyl)-2-methyl-6-(4-phenyl-1-piperazinyl)benzonitrile
Alternate Name(s) 4-(2,4-dichlorophenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)benzenecarbonitrile 4-(2,4-dichlorophenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)benzonitrile 4-(2,4-dichlorophenyl)-2-methyl-6-(4-phenylpiperazino)benzonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C24H21Cl2N3
InChI InChI=1S/C24H21Cl2N3/c1-17-13-18(21-8-7-19(25)15-23(21)26)14-24(22(17)16-27)29-11-9-28(10-12-29)20-5-3-2-4-6-20/h2-8,13-15H,9-12H2,1H3
InChIKey XWYRBABOPFJOQL-UHFFFAOYSA-N
Molecular Weight 422.359 g/mol
SMILES c1(c(c(C)cc(c1)-c1c(cc(cc1)Cl)Cl)C#N)N1CCN(CC1)c1ccccc1
SPLASH splash10-00di-0000900000-a7a70942a3f3acf3236b
Source of Spectrum K-2001-1958-6
Wiley ID 1579540