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N-[4-(DODECYLOXY)-PHENYL]-N',N',N'',N''-TETRAMETHYL-GUANIDINIUM-[[4-(DODECYLOXY)-PHENYL]-SULFONYL]-[(TRIFLUOROMETHYL)-SULFONYL]-AMIDE

View entire compound with spectra: 2 NMR

N-[4-(DODECYLOXY)-PHENYL]-N',N',N'',N''-TETRAMETHYL-GUANIDINIUM-[[4-(DODECYLOXY)-PHENYL]-SULFONYL]-[(TRIFLUOROMETHYL)-SULFONYL]-AMIDE
SpectraBase Compound ID LPhrLJFdl7U
InChI InChI=1S/C23H41N3O.C19H29F3NO5S2/c1-6-7-8-9-10-11-12-13-14-15-20-27-22-18-16-21(17-19-22)24-23(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/h16-19H,6-15,20H2,1-5H3;12-15H,2-11,16H2,1H3/q;-1/p+1
InChIKey QWCMPTZGZIHULC-UHFFFAOYSA-O
Mol Weight 849.2 g/mol
Molecular Formula C42H71F3N4O6S2
Exact Mass 848.476713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4aB1o3LPYaP
Name N-[4-(DODECYLOXY)-PHENYL]-N',N',N'',N''-TETRAMETHYL-GUANIDINIUM-[[4-(DODECYLOXY)-PHENYL]-SULFONYL]-[(TRIFLUOROMETHYL)-SULFONYL]-AMIDE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H71F3N4O6S2
InChI InChI=1S/C23H41N3O.C19H29F3NO5S2/c1-6-7-8-9-10-11-12-13-14-15-20-27-22-18-16-21(17-19-22)24-23(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/h16-19H,6-15,20H2,1-5H3;12-15H,2-11,16H2,1H3/q;-1/p+1
InChIKey QWCMPTZGZIHULC-UHFFFAOYSA-O
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 849.164 g/mol
Solvent CDCl3
Source File Reference UWLU77105