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4-(4-Chlorophenyl)-2-methyl-6-[4-[(4-chllorophenyl)(phenyl)methyl]piperazinyl-1-yl]benzonitrile
SpectraBase Compound ID JOwyxX8XTPX
InChI InChI=1S/C31H27Cl2N3/c1-22-19-26(23-7-11-27(32)12-8-23)20-30(29(22)21-34)35-15-17-36(18-16-35)31(24-5-3-2-4-6-24)25-9-13-28(33)14-10-25/h2-14,19-20,31H,15-18H2,1H3
InChIKey SZOIRBNHJFSSAD-UHFFFAOYSA-N
Mol Weight 512.48 g/mol
Molecular Formula C31H27Cl2N3
Exact Mass 511.158203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4XSdpfJeGNV
Name 4-(4-Chlorophenyl)-2-methyl-6-[4-[(4-chllorophenyl)(phenyl)methyl]piperazinyl-1-yl]benzonitrile
Alternate Name(s) 4-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]-6-methylbenzonitrile 4-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-6-methylbenzonitrile 4-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-6-methyl-benzonitrile 4-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-6-methyl-benzenecarbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C31H27Cl2N3
InChI InChI=1S/C31H27Cl2N3/c1-22-19-26(23-7-11-27(32)12-8-23)20-30(29(22)21-34)35-15-17-36(18-16-35)31(24-5-3-2-4-6-24)25-9-13-28(33)14-10-25/h2-14,19-20,31H,15-18H2,1H3
InChIKey SZOIRBNHJFSSAD-UHFFFAOYSA-N
Molecular Weight 512.484 g/mol
SMILES c1(c(c(C)cc(c1)-c1ccc(cc1)Cl)C#N)N1CCN(CC1)C(c1ccc(cc1)Cl)c1ccccc1
SPLASH splash10-03di-0000190000-f8803e38c2432af3a3c9
Source of Spectrum K-2001-1958-6
Wiley ID 1579551