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1-BENZYL-4-[(E)-1-[CHLORO-(DIFLUORO)-METHYL]-3-(4-METHYLPHENYL)-2-PROPENYL]-PIPERAZINE
SpectraBase Compound ID Ep3tGz2Zf6l
InChI InChI=1S/C22H25ClF2N2/c1-18-7-9-19(10-8-18)11-12-21(22(23,24)25)27-15-13-26(14-16-27)17-20-5-3-2-4-6-20/h2-12,21H,13-17H2,1H3/b12-11+
InChIKey LIKMLVKKQSMVKY-VAWYXSNFSA-N
Mol Weight 390.91 g/mol
Molecular Formula C22H25ClF2N2
Exact Mass 390.167433 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GVwB2IYdaUI
Name 1-BENZYL-4-[(E)-1-[CHLORO-(DIFLUORO)-METHYL]-3-(4-METHYLPHENYL)-2-PROPENYL]-PIPERAZINE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H25ClF2N2
InChI InChI=1S/C22H25ClF2N2/c1-18-7-9-19(10-8-18)11-12-21(22(23,24)25)27-15-13-26(14-16-27)17-20-5-3-2-4-6-20/h2-12,21H,13-17H2,1H3/b12-11+
InChIKey LIKMLVKKQSMVKY-VAWYXSNFSA-N
Literature Reference Author T.BILLARD,B.R.LANGLOIS
Literature Reference Citation J.ORG.CHEM.,67,997(2002)
Literature Reference DOI 10.1021/jo016265t
Molecular Weight 390.904 g/mol
Solvent CDCl3
Source File Reference UWLU24890