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3-(4-Aminomethyl-benzyl)-9-(4-tolyl-sulfonyl)-1, 5,9-triaza-cyclododecane
SpectraBase Compound ID NMpOctXpSz
InChI InChI=1S/C24H36N4O2S/c1-20-4-10-24(11-5-20)31(29,30)28-14-2-12-26-18-23(19-27-13-3-15-28)16-21-6-8-22(17-25)9-7-21/h4-11,23,26-27H,2-3,12-19,25H2,1H3
InChIKey ZYXOGXNGJHWTHV-UHFFFAOYSA-N
Mol Weight 444.6 g/mol
Molecular Formula C24H36N4O2S
Exact Mass 444.255898 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1mAmGmZizBJ
Name 3-(4-Aminomethyl-benzyl)-9-(4-tolyl-sulfonyl)-1, 5,9-triaza-cyclododecane
CAS Registry Number 124659-22-9
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H36N4O2S
InChI InChI=1S/C24H36N4O2S/c1-20-4-10-24(11-5-20)31(29,30)28-14-2-12-26-18-23(19-27-13-3-15-28)16-21-6-8-22(17-25)9-7-21/h4-11,23,26-27H,2-3,12-19,25H2,1H3
InChIKey ZYXOGXNGJHWTHV-UHFFFAOYSA-N
Instrument Name Bruker AC-250
Literature Reference I.M. Helps, D. Parker, K.J. Jankowski, J. Chem. Soc. Perkin I 2079 (1989).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3