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2-[4-[4-(META-NITROPHENYL)-PIPERAZIN-1-YL]-BUTYL]-1,4-DIOXOPERHYDRO-PYRIDO-[1,2-A]-PYRAZINE
SpectraBase Compound ID 3Ij1CQr56SG
InChI InChI=1S/C22H31N5O4/c28-21-17-25(22(29)20-8-1-2-11-26(20)21)10-4-3-9-23-12-14-24(15-13-23)18-6-5-7-19(16-18)27(30)31/h5-7,16,20H,1-4,8-15,17H2
InChIKey AUAGOPOHMPSPOB-UHFFFAOYSA-N
Mol Weight 429.52 g/mol
Molecular Formula C22H31N5O4
Exact Mass 429.237604 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9HgPnNQ9uBb
Name 2-[4-[4-(META-NITROPHENYL)-PIPERAZIN-1-YL]-BUTYL]-1,4-DIOXOPERHYDRO-PYRIDO-[1,2-A]-PYRAZINE
Compound Number 41
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H31N5O4
InChI InChI=1S/C22H31N5O4/c28-21-17-25(22(29)20-8-1-2-11-26(20)21)10-4-3-9-23-12-14-24(15-13-23)18-6-5-7-19(16-18)27(30)31/h5-7,16,20H,1-4,8-15,17H2
InChIKey AUAGOPOHMPSPOB-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 429.519 g/mol
Sample ID 43840
Solvent CDCl3