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IRIRYIGURUBOCI-UHFFFAOYSA-L

View entire compound with spectra: 1 NMR

IRIRYIGURUBOCI-UHFFFAOYSA-L
SpectraBase Compound ID 70vrCKOeg94
InChI InChI=1S/C36H42N10.2ClH/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;2*1H/p-2
InChIKey IRIRYIGURUBOCI-UHFFFAOYSA-L
Mol Weight 685.71 g/mol
Molecular Formula C36H42Cl2N10
Exact Mass 684.297097 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6DGXBZXu458
Name IRIRYIGURUBOCI-UHFFFAOYSA-L
Compound Number 11B.2CL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H42Cl2N10
InChI InChI=1S/C36H42N10.2ClH/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;2*1H/p-2
InChIKey IRIRYIGURUBOCI-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 685.702 g/mol
Solvent CD3OD
Source File Reference UWLU26503