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4-(4-chlorophenyl)-2-cyclopropyl-6-[4-(2-methoxyphenyl)-1-piperazinyl]benzonitrile
SpectraBase Compound ID EIyWDllwdh2
InChI InChI=1S/C27H26ClN3O/c1-32-27-5-3-2-4-25(27)30-12-14-31(15-13-30)26-17-21(19-8-10-22(28)11-9-19)16-23(20-6-7-20)24(26)18-29/h2-5,8-11,16-17,20H,6-7,12-15H2,1H3
InChIKey WKAJNRNNUVTYEG-UHFFFAOYSA-N
Mol Weight 443.98 g/mol
Molecular Formula C27H26ClN3O
Exact Mass 443.17644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85UurA7lyuN
Name 4-(4-chlorophenyl)-2-cyclopropyl-6-[4-(2-methoxyphenyl)-1-piperazinyl]benzonitrile
Alternate Name(s) 4-(4-chlorophenyl)-2-cyclopropyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]benzenecarbonitrile 4-(4-chlorophenyl)-2-cyclopropyl-6-[4-(2-methoxyphenyl)piperazin-1-yl]benzonitrile 4-(4-chlorophenyl)-2-cyclopropyl-6-[4-(2-methoxyphenyl)piperazino]benzonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C27H26ClN3O
InChI InChI=1S/C27H26ClN3O/c1-32-27-5-3-2-4-25(27)30-12-14-31(15-13-30)26-17-21(19-8-10-22(28)11-9-19)16-23(20-6-7-20)24(26)18-29/h2-5,8-11,16-17,20H,6-7,12-15H2,1H3
InChIKey WKAJNRNNUVTYEG-UHFFFAOYSA-N
Molecular Weight 443.978 g/mol
SMILES c1(c(N2CCN(CC2)c2c(OC)cccc2)cc(cc1C1CC1)-c1ccc(cc1)Cl)C#N
SPLASH splash10-0006-0010900000-f79b6c11bcb3b635eaeb
Source of Spectrum K-2001-1958-6
Wiley ID 1579544