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2-cyclopropyl-4-(4-fluorophenyl)-6-[4-(2-methoxyphenyl)-1-piperazinyl]benzonitrile
SpectraBase Compound ID 9lBv0vvogEU
InChI InChI=1S/C27H26FN3O/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 QGFANCQKGMHPIE-UHFFFAOYSA-N
Mol Weight 427.52 g/mol
Molecular Formula C27H26FN3O
Exact Mass 427.205991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bzc6DmSETzs
Name 2-cyclopropyl-4-(4-fluorophenyl)-6-[4-(2-methoxyphenyl)-1-piperazinyl]benzonitrile
Alternate Name(s) 2-cyclopropyl-4-(4-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]benzenecarbonitrile 2-cyclopropyl-4-(4-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]benzonitrile 2-cyclopropyl-4-(4-fluorophenyl)-6-[4-(2-methoxyphenyl)piperazino]benzonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C27H26FN3O
InChI InChI=1S/C27H26FN3O/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 QGFANCQKGMHPIE-UHFFFAOYSA-N
Molecular Weight 427.523 g/mol
SMILES C(c1c(cc(cc1N1CCN(CC1)c1c(cccc1)OC)-c1ccc(cc1)F)C1CC1)#N
SPLASH splash10-004i-0003900000-c43666412f762556c374
Source of Spectrum K-2001-1958-6
Wiley ID 1579556