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N-[4-(DODECYLOXY)-PHENYL]-N,N',N',N'',N''-PENTAMETHYL-GUANIDINIUM-[[4-(DODECYLOXY)-PHENYL]-SULFONYL]-[(TRIFLUOROMETHYL)-SULFONYL]-AMIDE
SpectraBase Compound ID J42KCDZZDe3
InChI InChI=1S/C24H44N3O.C19H29F3NO5S2/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;1-2-3-4-5-6-7-8-9-10-11-16-28-17-12-14-18(15-13-17)29(24,25)23-30(26,27)19(20,21)22/h17-20H,7-16,21H2,1-6H3;12-15H,2-11,16H2,1H3/q+1;-1
InChIKey QXTNBBHZJQCATP-UHFFFAOYSA-N
Mol Weight 863.2 g/mol
Molecular Formula C43H73F3N4O6S2
Exact Mass 862.492363 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AyCmNHQGTSS
Name N-[4-(DODECYLOXY)-PHENYL]-N,N',N',N'',N''-PENTAMETHYL-GUANIDINIUM-[[4-(DODECYLOXY)-PHENYL]-SULFONYL]-[(TRIFLUOROMETHYL)-SULFONYL]-AMIDE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H73F3N4O6S2
InChI InChI=1S/C24H44N3O.C19H29F3NO5S2/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;1-2-3-4-5-6-7-8-9-10-11-16-28-17-12-14-18(15-13-17)29(24,25)23-30(26,27)19(20,21)22/h17-20H,7-16,21H2,1-6H3;12-15H,2-11,16H2,1H3/q+1;-1
InChIKey QXTNBBHZJQCATP-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
Solvent CDCl3
Source File Reference UWLU77103