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N-[4-(DODECYLOXY)-PHENYL]-N,N',N',N'',N''-PENTAMETHYL-GUANIDINIUM-[[4-(DODECYLOXY)-PHENYL]-SULFONYL]-(METHYLSULFONYL)-AMIDE

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N-[4-(DODECYLOXY)-PHENYL]-N,N',N',N'',N''-PENTAMETHYL-GUANIDINIUM-[[4-(DODECYLOXY)-PHENYL]-SULFONYL]-(METHYLSULFONYL)-AMIDE
SpectraBase Compound ID C9KCjrCq1Up
InChI InChI=1S/C24H44N3O.C19H32NO5S2/c1-7-8-9-10-11-12-13-14-15-16-21-28-23-19-17-22(18-20-23)27(6)24(25(2)3)26(4)5;1-3-4-5-6-7-8-9-10-11-12-17-25-18-13-15-19(16-14-18)27(23,24)20-26(2,21)22/h17-20H,7-16,21H2,1-6H3;13-16H,3-12,17H2,1-2H3/q+1;-1
InChIKey AIWFGTNWSQGIPB-UHFFFAOYSA-N
Mol Weight 809.2 g/mol
Molecular Formula C43H76N4O6S2
Exact Mass 808.520629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Hley663ePm
Name N-[4-(DODECYLOXY)-PHENYL]-N,N',N',N'',N''-PENTAMETHYL-GUANIDINIUM-[[4-(DODECYLOXY)-PHENYL]-SULFONYL]-(METHYLSULFONYL)-AMIDE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H76N4O6S2
InChI InChI=1S/C24H44N3O.C19H32NO5S2/c1-7-8-9-10-11-12-13-14-15-16-21-28-23-19-17-22(18-20-23)27(6)24(25(2)3)26(4)5;1-3-4-5-6-7-8-9-10-11-12-17-25-18-13-15-19(16-14-18)27(23,24)20-26(2,21)22/h17-20H,7-16,21H2,1-6H3;13-16H,3-12,17H2,1-2H3/q+1;-1
InChIKey AIWFGTNWSQGIPB-UHFFFAOYSA-N
Literature Reference Author M.BUTSCHIES,M.M.NEIDHARDT,M.MANSUETO,S.LASCHAT,S.TUSSETSCHLA EGER
Literature Reference Citation BEIL.J.ORG.CHEM.,9,1093(2013)
Literature Reference DOI 10.3762/bjoc.9.121
Molecular Weight 809.220 g/mol
Solvent CDCl3
Source File Reference UWLU77104