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9-P-Tolylsulfonyl-1,5,9-triaza-cyclododecane

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9-P-Tolylsulfonyl-1,5,9-triaza-cyclododecane
SpectraBase Compound ID 61nW9ZbfW3N
InChI InChI=1S/C16H27N3O2S/c1-15-5-7-16(8-6-15)22(20,21)19-13-3-11-17-9-2-10-18-12-4-14-19/h5-8,17-18H,2-4,9-14H2,1H3
InChIKey ZMLMGHYMITWHBD-UHFFFAOYSA-N
Mol Weight 325.47 g/mol
Molecular Formula C16H27N3O2S
Exact Mass 325.182398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ejHt4BjsqB
Name 9-P-Tolylsulfonyl-1,5,9-triaza-cyclododecane
CAS Registry Number 127618-13-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H27N3O2S
InChI InChI=1S/C16H27N3O2S/c1-15-5-7-16(8-6-15)22(20,21)19-13-3-11-17-9-2-10-18-12-4-14-19/h5-8,17-18H,2-4,9-14H2,1H3
InChIKey ZMLMGHYMITWHBD-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