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1,4,7,10-TETRAKIS-[R-1-(1-PHENYL)-ETHYLCARBONYL-METHYL]-1,4,7,10-TETRA-AZA-CYCLODODECANE
SpectraBase Compound ID 8wVOAnFSGDj
InChI InChI=1S/C48H64N8O4/c1-37(41-17-9-5-10-18-41)49-45(57)33-53-25-27-54(34-46(58)50-38(2)42-19-11-6-12-20-42)29-31-56(36-48(60)52-40(4)44-23-15-8-16-24-44)32-30-55(28-26-53)35-47(59)51-39(3)43-21-13-7-14-22-43/h5-24,37-40H,25-36H2,1-4H3,(H,49,57)(H,50,58)(H,51,59)(H,52,60)
InChIKey ICTSZMZLFHKAPZ-UHFFFAOYSA-N
Mol Weight 817.1 g/mol
Molecular Formula C48H64N8O4
Exact Mass 816.505053 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JmrkPll47RH
Name 1,4,7,10-TETRAKIS-[R-1-(1-PHENYL)-ETHYLCARBONYL-METHYL]-1,4,7,10-TETRA-AZA-CYCLODODECANE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H64N8O4
InChI InChI=1S/C48H64N8O4/c1-37(41-17-9-5-10-18-41)49-45(57)33-53-25-27-54(34-46(58)50-38(2)42-19-11-6-12-20-42)29-31-56(36-48(60)52-40(4)44-23-15-8-16-24-44)32-30-55(28-26-53)35-47(59)51-39(3)43-21-13-7-14-22-43/h5-24,37-40H,25-36H2,1-4H3,(H,49,57)(H,50,58)(H,51,59)(H,52,60)
InChIKey ICTSZMZLFHKAPZ-UHFFFAOYSA-N
Literature Reference Author R.S.DICKINS,J.A.K.HOWARD,C.L.MAUPIN,J.M.MOLONEY,D.PARKER,J.P .RIEHL,G.SILIGARDI,J
Literature Reference Citation CHEM.EUR.J.,5,1095(1999)
Literature Reference DOI 10.1002/(sici)1521-3765(19990301)5:3<1095::aid-chem1095>3.0.co;2-c
Molecular Weight 817.087 g/mol
Solvent CDCl3
Source File Reference UWMP15145