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N,N',N''-Tris(3-hydroxy-6-methyl-2-pyridyl-methyl)-1,4,7-triaza-cyclononane

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N,N',N''-Tris(3-hydroxy-6-methyl-2-pyridyl-methyl)-1,4,7-triaza-cyclononane
SpectraBase Compound ID 3UlzbwXScdg
InChI InChI=1S/C27H36N6O3/c1-19-4-7-25(34)22(28-19)16-31-10-12-32(17-23-26(35)8-5-20(2)29-23)14-15-33(13-11-31)18-24-27(36)9-6-21(3)30-24/h4-9,34-36H,10-18H2,1-3H3
InChIKey HAVLDNRTHSLMCO-UHFFFAOYSA-N
Mol Weight 492.6 g/mol
Molecular Formula C27H36N6O3
Exact Mass 492.284889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BHHwmn8t1m5
Name N,N',N''-Tris(3-hydroxy-6-methyl-2-pyridyl-methyl)-1,4,7-triaza-cyclononane
Comments D2O/DCL AS SOLVENT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H36N6O3
InChI InChI=1S/C27H36N6O3/c1-19-4-7-25(34)22(28-19)16-31-10-12-32(17-23-26(35)8-5-20(2)29-23)14-15-33(13-11-31)18-24-27(36)9-6-21(3)30-24/h4-9,34-36H,10-18H2,1-3H3
InChIKey HAVLDNRTHSLMCO-UHFFFAOYSA-N
Instrument Name Varian XL-200
Literature Reference Y. Sun, A.E. Martell, J.E. Reibenspies, Tetrahedron 47, 357 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany