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[1-(2-(5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDO)-ETHYL]-1,4,7,10-TETRAAZACYCLODODECANE-PENTAHYDROCHLORIC-ACID-SALT
SpectraBase Compound ID AaecsxguNiH
InChI InChI=1S/C22H36N6O2S.5ClH/c1-27(2)21-7-3-6-20-19(21)5-4-8-22(20)31(29,30)26-15-18-28-16-13-24-11-9-23-10-12-25-14-17-28;;;;;/h3-8,23-26H,9-18H2,1-2H3;5*1H
InChIKey WJXVFEFMGLIYPN-UHFFFAOYSA-N
Mol Weight 630.94 g/mol
Molecular Formula C22H41Cl5N6O2S
Exact Mass 628.145434 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IXjCFn9g40x
Name [1-(2-(5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDO)-ETHYL]-1,4,7,10-TETRAAZACYCLODODECANE-PENTAHYDROCHLORIC-ACID-SALT
Compound Number 6.5HCL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H41Cl5N6O2S
InChI InChI=1S/C22H36N6O2S.5ClH/c1-27(2)21-7-3-6-20-19(21)5-4-8-22(20)31(29,30)26-15-18-28-16-13-24-11-9-23-10-12-25-14-17-28;;;;;/h3-8,23-26H,9-18H2,1-2H3;5*1H
InChIKey WJXVFEFMGLIYPN-UHFFFAOYSA-N
Literature Reference Author T.KOIKE,T.WATANABE,S.AOKI,E.KIMURA,M.SHIRO
Literature Reference Citation J.AM.CHEM.SOC.,118,12696(1996)
Literature Reference DOI 10.1021/ja962527a
Molecular Weight 630.932 g/mol
Sample ID 54543
Solvent CDCl3