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1,5-Bis(ethoxycarbonylmethyl)-9-(4-tolyl-sulfony L)-1,5,9-triaza-cyclododecane

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1,5-Bis(ethoxycarbonylmethyl)-9-(4-tolyl-sulfony L)-1,5,9-triaza-cyclododecane
SpectraBase Compound ID 5B4w3hzZnD4
InChI InChI=1S/C24H39N3O6S/c1-4-32-23(28)19-25-13-6-14-26(20-24(29)33-5-2)16-8-18-27(17-7-15-25)34(30,31)22-11-9-21(3)10-12-22/h9-12H,4-8,13-20H2,1-3H3
InChIKey KUROHWIFZWNCLI-UHFFFAOYSA-N
Mol Weight 497.7 g/mol
Molecular Formula C24H39N3O6S
Exact Mass 497.255957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JshWpkSMacY
Name 1,5-Bis(ethoxycarbonylmethyl)-9-(4-tolyl-sulfony L)-1,5,9-triaza-cyclododecane
CAS Registry Number 127647-89-6
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C24H39N3O6S
InChI InChI=1S/C24H39N3O6S/c1-4-32-23(28)19-25-13-6-14-26(20-24(29)33-5-2)16-8-18-27(17-7-15-25)34(30,31)22-11-9-21(3)10-12-22/h9-12H,4-8,13-20H2,1-3H3
InChIKey KUROHWIFZWNCLI-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