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3-[3-[3-[3-(bis(2-cyanoethyl)amino)propoxy]-2,2-bis[3-(bis(2-cyanoethyl)amino)propoxymethyl]propoxy]propyl-(2-cyanoethyl)amino]propionitrile

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3-[3-[3-[3-(bis(2-cyanoethyl)amino)propoxy]-2,2-bis[3-(bis(2-cyanoethyl)amino)propoxymethyl]propoxy]propyl-(2-cyanoethyl)amino]propionitrile
SpectraBase Compound ID 6DPxlr9LAZL
InChI InChI=1S/C41H64N12O4/c42-13-1-21-50(22-2-14-43)29-9-33-54-37-41(38-55-34-10-30-51(23-3-15-44)24-4-16-45,39-56-35-11-31-52(25-5-17-46)26-6-18-47)40-57-36-12-32-53(27-7-19-48)28-8-20-49/h1-12,21-40H2
InChIKey MFGAMTCQYKQDPG-UHFFFAOYSA-N
Mol Weight 789.0 g/mol
Molecular Formula C41H64N12O4
Exact Mass 788.517349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 18dtfNz2aT
Name 3-[3-[3-[3-(bis(2-cyanoethyl)amino)propoxy]-2,2-bis[3-(bis(2-cyanoethyl)amino)propoxymethyl]propoxy]propyl-(2-cyanoethyl)amino]propionitrile
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H64N12O4
InChI InChI=1S/C41H64N12O4/c42-13-1-21-50(22-2-14-43)29-9-33-54-37-41(38-55-34-10-30-51(23-3-15-44)24-4-16-45,39-56-35-11-31-52(25-5-17-46)26-6-18-47)40-57-36-12-32-53(27-7-19-48)28-8-20-49/h1-12,21-40H2
InChIKey MFGAMTCQYKQDPG-UHFFFAOYSA-N
Literature Reference Author G.R.NEWKOME,A.MISHRA,C.N.MOOREFIELD
Literature Reference Citation J.ORG.CHEM.,67,3957(2002)
Literature Reference DOI 10.1021/jo025625p
Molecular Weight 789.037 g/mol
Solvent CDCl3
Source File Reference UWLU26070