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(+)-(2S)-2-(4-Benzamido-butyl)-1,4,7,10-tetrakis(toluene-P-sulfonyl)-1,4,7,10-tetraaza-cyclododecane

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(+)-(2S)-2-(4-Benzamido-butyl)-1,4,7,10-tetrakis(toluene-P-sulfonyl)-1,4,7,10-tetraaza-cyclododecane
SpectraBase Compound ID 2J6ic6t1yo5
InChI InChI=1S/C47H57N5O9S4/c1-37-13-21-43(22-14-37)62(54,55)49-30-31-50(63(56,57)44-23-15-38(2)16-24-44)34-35-52(65(60,61)46-27-19-40(4)20-28-46)42(12-8-9-29-48-47(53)41-10-6-5-7-11-41)36-51(33-32-49)64(58,59)45-25-17-39(3)18-26-45/h5-7,10-11,13-28,42H,8-9,12,29-36H2,1-4H3,(H,48,53)
InChIKey YVIDGYAAMOSCPO-UHFFFAOYSA-N
Mol Weight 964.2 g/mol
Molecular Formula C47H57N5O9S4
Exact Mass 963.303913 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4XqpkrISdBK
Name (+)-(2S)-2-(4-Benzamido-butyl)-1,4,7,10-tetrakis(toluene-P-sulfonyl)-1,4,7,10-tetraaza-cyclododecane
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C47H57N5O9S4
InChI InChI=1S/C47H57N5O9S4/c1-37-13-21-43(22-14-37)62(54,55)49-30-31-50(63(56,57)44-23-15-38(2)16-24-44)34-35-52(65(60,61)46-27-19-40(4)20-28-46)42(12-8-9-29-48-47(53)41-10-6-5-7-11-41)36-51(33-32-49)64(58,59)45-25-17-39(3)18-26-45/h5-7,10-11,13-28,42H,8-9,12,29-36H2,1-4H3,(H,48,53)
InChIKey YVIDGYAAMOSCPO-UHFFFAOYSA-N
Instrument Name Bruker AC-250
Literature Reference J.P. Cox, A.S. Craig, I.M.Helps, J. Chem. Soc. Perkin I 2567 (1990).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3