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N-[3-([2,2';6',2'']-TERPYRIDIN-4'-YL-AMINO)-PROPYL]-2-(4,7,10-TRIS-DIMETHYL-CARBAMOYLMETHYL-1,4,7-TETRAAZA-CYCLODODEC-1-YL)-ACETAMIDE

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N-[3-([2,2';6',2'']-TERPYRIDIN-4'-YL-AMINO)-PROPYL]-2-(4,7,10-TRIS-DIMETHYL-CARBAMOYLMETHYL-1,4,7-TETRAAZA-CYCLODODEC-1-YL)-ACETAMIDE
SpectraBase Compound ID 35mSQHLA7EW
InChI InChI=1S/C40H60N12O4/c1-46(2)38(54)29-50-20-18-49(19-21-51(30-39(55)47(3)4)23-25-52(24-22-50)31-40(56)48(5)6)28-37(53)44-17-11-16-41-32-26-35(33-12-7-9-14-42-33)45-36(27-32)34-13-8-10-15-43-34/h7-10,12-15,26-27H,11,16-25,28-31H2,1-6H3,(H,41,45)(H,44,53)
InChIKey YLCDVLHSYBKGTP-UHFFFAOYSA-N
Mol Weight 773.0 g/mol
Molecular Formula C40H60N12O4
Exact Mass 772.486048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AbA4DHYAOCL
Name N-[3-([2,2';6',2'']-TERPYRIDIN-4'-YL-AMINO)-PROPYL]-2-(4,7,10-TRIS-DIMETHYL-CARBAMOYLMETHYL-1,4,7-TETRAAZA-CYCLODODEC-1-YL)-ACETAMIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H60N12O4
InChI InChI=1S/C40H60N12O4/c1-46(2)38(54)29-50-20-18-49(19-21-51(30-39(55)47(3)4)23-25-52(24-22-50)31-40(56)48(5)6)28-37(53)44-17-11-16-41-32-26-35(33-12-7-9-14-42-33)45-36(27-32)34-13-8-10-15-43-34/h7-10,12-15,26-27H,11,16-25,28-31H2,1-6H3,(H,41,45)(H,44,53)
InChIKey YLCDVLHSYBKGTP-UHFFFAOYSA-N
Literature Reference Author K.SENECHAL-DAVID,J.P.LEONARD,S.E.PLUSH,T.GUNNLAUGSSON
Literature Reference Citation ORG.LETTERS,8,2727(2006)
Literature Reference DOI 10.1021/ol060752j
Molecular Weight 772.994 g/mol
Sample ID 59802
Solvent CDCl3