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1-[4-[(2-AMINOETHYL)-(3-AMINOPROP-1-YL)-AMINOMETHYL]-PHENYLMETHYL]-4,7,10-TRIS-(TERT.-BUTOXYCARBONYLMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE

View entire compound with spectra: 1 NMR

1-[4-[(2-AMINOETHYL)-(3-AMINOPROP-1-YL)-AMINOMETHYL]-PHENYLMETHYL]-4,7,10-TRIS-(TERT.-BUTOXYCARBONYLMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE
SpectraBase Compound ID 1ZtF6Lyei1z
InChI InChI=1S/C39H71N7O6/c1-37(2,3)50-34(47)29-44-21-19-43(28-33-13-11-32(12-14-33)27-42(18-16-41)17-10-15-40)20-22-45(30-35(48)51-38(4,5)6)24-26-46(25-23-44)31-36(49)52-39(7,8)9/h11-14H,10,15-31,40-41H2,1-9H3
InChIKey NWISLHXSKKMCHK-UHFFFAOYSA-N
Mol Weight 734.0 g/mol
Molecular Formula C39H71N7O6
Exact Mass 733.546583 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5S1xAgdlRAI
Name 1-[4-[(2-AMINOETHYL)-(3-AMINOPROP-1-YL)-AMINOMETHYL]-PHENYLMETHYL]-4,7,10-TRIS-(TERT.-BUTOXYCARBONYLMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H71N7O6
InChI InChI=1S/C39H71N7O6/c1-37(2,3)50-34(47)29-44-21-19-43(28-33-13-11-32(12-14-33)27-42(18-16-41)17-10-15-40)20-22-45(30-35(48)51-38(4,5)6)24-26-46(25-23-44)31-36(49)52-39(7,8)9/h11-14H,10,15-31,40-41H2,1-9H3
InChIKey NWISLHXSKKMCHK-UHFFFAOYSA-N
Literature Reference Author B.DRAHOS,Z.TRAVNICEK
Literature Reference Citation MOLECULES,18,13940(2013)
Literature Reference DOI 10.3390/molecules181113940
Molecular Weight 734.036 g/mol
Solvent DMSO-D6
Source File Reference UWIR9896