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2-[4-[4-(ORTHO-BUTOXYPHENYL)-PIPERAZIN-1-YL]-BUTYL]-1,4-DIOXOPERHYDRO-PYRROLO-[1,2-A]-PYRAZINE
SpectraBase Compound ID Brz4fQTF0Lz
InChI InChI=1S/C25H38N4O3/c1-2-3-19-32-23-11-5-4-9-21(23)27-17-15-26(16-18-27)12-6-7-13-28-20-24(30)29-14-8-10-22(29)25(28)31/h4-5,9,11,22H,2-3,6-8,10,12-20H2,1H3
InChIKey XGYUTJDHIDWLGV-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C25H38N4O3
Exact Mass 442.294391 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4QrV51SirBq
Name 2-[4-[4-(ORTHO-BUTOXYPHENYL)-PIPERAZIN-1-YL]-BUTYL]-1,4-DIOXOPERHYDRO-PYRROLO-[1,2-A]-PYRAZINE
Compound Number 2 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H38N4O3
InChI InChI=1S/C25H38N4O3/c1-2-3-19-32-23-11-5-4-9-21(23)27-17-15-26(16-18-27)12-6-7-13-28-20-24(30)29-14-8-10-22(29)25(28)31/h4-5,9,11,22H,2-3,6-8,10,12-20H2,1H3
InChIKey XGYUTJDHIDWLGV-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 442.602 g/mol
Sample ID 43834
Solvent CDCl3