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TRI-TERT.-BUTYL-10-(4,6-DICHLORO-[1.3.5]-TRIAZINE-2-YL)-1,4,7,10-TETRAAZA-CYCLODODECANE-1,4,7-TRICARBOXYLATE
SpectraBase Compound ID LCXXvuW0Dnj
InChI InChI=1S/C26H43Cl2N7O6/c1-24(2,3)39-21(36)33-12-10-32(20-30-18(27)29-19(28)31-20)11-13-34(22(37)40-25(4,5)6)15-17-35(16-14-33)23(38)41-26(7,8)9/h10-17H2,1-9H3
InChIKey NRALEGRBTFHQCD-UHFFFAOYSA-N
Mol Weight 620.6 g/mol
Molecular Formula C26H43Cl2N7O6
Exact Mass 619.265188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6fRRcpLucdJ
Name TRI-TERT.-BUTYL-10-(4,6-DICHLORO-[1.3.5]-TRIAZINE-2-YL)-1,4,7,10-TETRAAZA-CYCLODODECANE-1,4,7-TRICARBOXYLATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H43Cl2N7O6
InChI InChI=1S/C26H43Cl2N7O6/c1-24(2,3)39-21(36)33-12-10-32(20-30-18(27)29-19(28)31-20)11-13-34(22(37)40-25(4,5)6)15-17-35(16-14-33)23(38)41-26(7,8)9/h10-17H2,1-9H3
InChIKey NRALEGRBTFHQCD-UHFFFAOYSA-N
Literature Reference Author M.SUBAT,A.S.BOROVIK,B.KOENIG
Literature Reference Citation J.AM.CHEM.SOC.,126,3185(2004)
Literature Reference DOI 10.1021/ja038980l
Molecular Weight 620.577 g/mol
Solvent CDCl3
Source File Reference UWMZ21732