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IUFSXKQLMNSDAI-UHFFFAOYSA-L

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IUFSXKQLMNSDAI-UHFFFAOYSA-L
SpectraBase Compound ID 7AZYMXEv9ej
InChI InChI=1S/C36H44N10.2ClH/c1-35(2,3)29-13-25-11-27(15-29)19-43-7-9-45(23-43)21-33-38-34(42-41-33)22-46-10-8-44(24-46)20-28-12-26(14-30(16-28)36(4,5)6)18-32-37-31(17-25)39-40-32;;/h7-16,23-24H,17-22H2,1-6H3,(H,37,39,40)(H,38,41,42);2*1H/q+2;;/p-2
InChIKey IUFSXKQLMNSDAI-UHFFFAOYSA-L
Mol Weight 687.72 g/mol
Molecular Formula C36H44Cl2N10
Exact Mass 686.312747 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1SxIBGciWzI
Name IUFSXKQLMNSDAI-UHFFFAOYSA-L
Compound Number 5B.2CL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H44Cl2N10
InChI InChI=1S/C36H44N10.2ClH/c1-35(2,3)29-13-25-11-27(15-29)19-43-7-9-45(23-43)21-33-38-34(42-41-33)22-46-10-8-44(24-46)20-28-12-26(14-30(16-28)36(4,5)6)18-32-37-31(17-25)39-40-32;;/h7-16,23-24H,17-22H2,1-6H3,(H,37,39,40)(H,38,41,42);2*1H/q+2;;/p-2
InChIKey IUFSXKQLMNSDAI-UHFFFAOYSA-L
Literature Reference Author E.ALCALDE,C.AYALA,I.DINARES,N.MESQUIDA,F.SANCHEZ-FERRANDO
Literature Reference Citation J.ORG.CHEM.,66,2281(2001)
Literature Reference DOI 10.1021/jo005678b
Molecular Weight 687.718 g/mol
Solvent CD3OD
Source File Reference UWLU26502