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1-BENZYLOXYCARBONYL-4,7,10-TRIS-(CARBAMOYLMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE
SpectraBase Compound ID IkdCHtiRdxf
InChI InChI=1S/C22H35N7O5/c23-19(30)14-26-6-8-27(15-20(24)31)10-12-29(13-11-28(9-7-26)16-21(25)32)22(33)34-17-18-4-2-1-3-5-18/h1-5H,6-17H2,(H2,23,30)(H2,24,31)(H2,25,32)
InChIKey FHASOJVNQHRKKK-UHFFFAOYSA-N
Mol Weight 477.6 g/mol
Molecular Formula C22H35N7O5
Exact Mass 477.269967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6dNJoP70qOx
Name 1-BENZYLOXYCARBONYL-4,7,10-TRIS-(CARBAMOYLMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H35N7O5
InChI InChI=1S/C22H35N7O5/c23-19(30)14-26-6-8-27(15-20(24)31)10-12-29(13-11-28(9-7-26)16-21(25)32)22(33)34-17-18-4-2-1-3-5-18/h1-5H,6-17H2,(H2,23,30)(H2,24,31)(H2,25,32)
InChIKey FHASOJVNQHRKKK-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 477.564 g/mol
Solvent CDCl3
Source File Reference UWMZ24363