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2-[4-[4-(ORTHO-BUTOXYPHENYL)-PIPERAZIN-1-YL]-BUTYL]-1,3-DIOXOPERHYDRO-IMIDAZO-[1,5-A]-PYRIDINE
SpectraBase Compound ID GXM91d4cpZW
InChI InChI=1S/C25H38N4O3/c1-2-3-20-32-23-12-5-4-10-21(23)27-18-16-26(17-19-27)13-8-9-15-29-24(30)22-11-6-7-14-28(22)25(29)31/h4-5,10,12,22H,2-3,6-9,11,13-20H2,1H3
InChIKey RQHWTFFKRYBJBJ-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 F34BcgqReDz
Name 2-[4-[4-(ORTHO-BUTOXYPHENYL)-PIPERAZIN-1-YL]-BUTYL]-1,3-DIOXOPERHYDRO-IMIDAZO-[1,5-A]-PYRIDINE
Compound Number 2 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H38N4O3
InChI InChI=1S/C25H38N4O3/c1-2-3-20-32-23-12-5-4-10-21(23)27-18-16-26(17-19-27)13-8-9-15-29-24(30)22-11-6-7-14-28(22)25(29)31/h4-5,10,12,22H,2-3,6-9,11,13-20H2,1H3
InChIKey RQHWTFFKRYBJBJ-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 43829
Solvent CDCl3