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METHYLENE-NA,NB-BIS-[(+)-MELONINIUM]
SpectraBase Compound ID 8BZ5DqE6dKm
InChI InChI=1S/C39H54N4.2ClH/c1-3-36-15-9-23-42(25-21-38(19-17-36)32(34(36)42)28-11-5-7-13-30(28)40-38)27-43-24-10-16-37(4-2)18-20-39(22-26-43)33(35(37)43)29-12-6-8-14-31(29)41-39;;/h5-8,11-14,32-35,40-41H,3-4,9-10,15-27H2,1-2H3;2*1H/q+2;;/p-2/t32-,33-,34-,35-,36?,37?,38-,39-,42+,43+;;/m0../s1
InChIKey QPBZEFQYJGRILP-QKVWKGSNSA-L
Mol Weight 649.8 g/mol
Molecular Formula C39H54Cl2N4
Exact Mass 648.372553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JyO9qtcj6zB
Name METHYLENE-NA,NB-BIS-[(+)-MELONINIUM]
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H54Cl2N4
InChI InChI=1S/C39H54N4.2ClH/c1-3-36-15-9-23-42(25-21-38(19-17-36)32(34(36)42)28-11-5-7-13-30(28)40-38)27-43-24-10-16-37(4-2)18-20-39(22-26-43)33(35(37)43)29-12-6-8-14-31(29)41-39;;/h5-8,11-14,32-35,40-41H,3-4,9-10,15-27H2,1-2H3;2*1H/q+2;;/p-2/t32-,33-,34-,35-,36?,37?,38-,39-,42+,43+;;/m0../s1
InChIKey QPBZEFQYJGRILP-QKVWKGSNSA-L
Literature Reference Author H.MEHRI,S.BAASSOU,M.PLAT
Literature Reference Citation J.NAT.PROD.,54,372(1991)
Literature Reference DOI 10.1021/np50074a004
Molecular Weight 649.791 g/mol
Solvent Unknown
Source File Reference UWPR1967