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N-BENZYL-HOMOPIPERAZINE-PENTA-CYCLOUNDECANE

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N-BENZYL-HOMOPIPERAZINE-PENTA-CYCLOUNDECANE
SpectraBase Compound ID 7OHJpoJdZ3D
InChI InChI=1S/C39H52N4O/c1-3-9-28(10-4-1)26-42-17-7-15-40(21-23-42)19-13-38-34-30-25-31-33-32(30)36(38)37(33)39(44-38,35(31)34)14-20-41-16-8-18-43(24-22-41)27-29-11-5-2-6-12-29/h1-6,9-12,30-37H,7-8,13-27H2/t30-,31+,32-,33+,34+,35-,36-,37+,38-,39+
InChIKey RMORLBQXWKGDGC-ZAOGBEMBSA-N
Mol Weight 592.9 g/mol
Molecular Formula C39H52N4O
Exact Mass 592.414112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EAjSEwbtHQP
Name N-BENZYL-HOMOPIPERAZINE-PENTA-CYCLOUNDECANE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H52N4O
InChI InChI=1S/C39H52N4O/c1-3-9-28(10-4-1)26-42-17-7-15-40(21-23-42)19-13-38-34-30-25-31-33-32(30)36(38)37(33)39(44-38,35(31)34)14-20-41-16-8-18-43(24-22-41)27-29-11-5-2-6-12-29/h1-6,9-12,30-37H,7-8,13-27H2/t30-,31+,32-,33+,34+,35-,36-,37+,38-,39+
InChIKey RMORLBQXWKGDGC-ZAOGBEMBSA-N
Literature Reference Author O.K.ONAJOLE,T.GOVENDER,M.MAKATINI,H.G.KRUGER
Literature Reference Citation MAGN.RES.CHEM.,46,1007(2008)
Literature Reference DOI 10.1002/mrc.2305
Molecular Weight 592.868 g/mol
Solvent CDCl3
Source File Reference UWBT16347