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1-BENZYLOXYCARBONYL-4,7,10-TRIS-TERT.-BUTOXYCARBONYL-1,4,7,10-TETRAAZACYCLODODECANE
SpectraBase Compound ID HqcVbyQpQgy
InChI InChI=1S/C31H50N4O8/c1-29(2,3)41-26(37)33-17-15-32(25(36)40-23-24-13-11-10-12-14-24)16-18-34(27(38)42-30(4,5)6)20-22-35(21-19-33)28(39)43-31(7,8)9/h10-14H,15-23H2,1-9H3
InChIKey AUDJNNXFLSKQHD-UHFFFAOYSA-N
Mol Weight 606.8 g/mol
Molecular Formula C31H50N4O8
Exact Mass 606.362865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EliTq8osGZg
Name 1-BENZYLOXYCARBONYL-4,7,10-TRIS-TERT.-BUTOXYCARBONYL-1,4,7,10-TETRAAZACYCLODODECANE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H50N4O8
InChI InChI=1S/C31H50N4O8/c1-29(2,3)41-26(37)33-17-15-32(25(36)40-23-24-13-11-10-12-14-24)16-18-34(27(38)42-30(4,5)6)20-22-35(21-19-33)28(39)43-31(7,8)9/h10-14H,15-23H2,1-9H3
InChIKey AUDJNNXFLSKQHD-UHFFFAOYSA-N
Literature Reference Author M.WOODS,G.E.KIEFER,S.BOTT,A.CASTILLO-MUZQUIZ,C.ESHELBRENNER, L.MICHAUDET,K.MCMILL
Literature Reference Citation J.AM.CHEM.SOC.,126,9248(2004)
Literature Reference DOI 10.1021/ja048299z
Molecular Weight 606.760 g/mol
Solvent CDCl3
Source File Reference UWMZ24361