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2-[4-[4-(META-(TRIFLUOROMETHYL)-PHENYL)-PIPERAZIN-1-YL]-BUTYL]-1,4-DIOXOPERHYDRO-PYRROLO-[1,2-A]-PYRAZINE
SpectraBase Compound ID 6oCaw1vrHxH
InChI InChI=1S/C22H29F3N4O2/c23-22(24,25)17-5-3-6-18(15-17)27-13-11-26(12-14-27)8-1-2-9-28-16-20(30)29-10-4-7-19(29)21(28)31/h3,5-6,15,19H,1-2,4,7-14,16H2
InChIKey IBBDKVXHADYTFU-UHFFFAOYSA-N
Mol Weight 438.5 g/mol
Molecular Formula C22H29F3N4O2
Exact Mass 438.224261 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5FmTQs5OGhu
Name 2-[4-[4-(META-(TRIFLUOROMETHYL)-PHENYL)-PIPERAZIN-1-YL]-BUTYL]-1,4-DIOXOPERHYDRO-PYRROLO-[1,2-A]-PYRAZINE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H29F3N4O2
InChI InChI=1S/C22H29F3N4O2/c23-22(24,25)17-5-3-6-18(15-17)27-13-11-26(12-14-27)8-1-2-9-28-16-20(30)29-10-4-7-19(29)21(28)31/h3,5-6,15,19H,1-2,4,7-14,16H2
InChIKey IBBDKVXHADYTFU-UHFFFAOYSA-N
Literature Reference Author M.L.LOPEZ-RODRIGUEZ,M.J.MORCILLO,E.FERNANDEZ,E.PORRAS,L.OREN SANZ,M.E.BENEYTEZ,J.
Literature Reference Citation J.MED.CHEM.,44,186(2001)
Literature Reference DOI 10.1021/jm000929u
Molecular Weight 438.493 g/mol
Sample ID 43836
Solvent CDCl3