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N''-METHYL-N,N',N-TRIMETHYL-N'-ETHYL-GUANIDINIUM-TRIFLUOROMETHANESULFONATE;[(CH3)(CH2CH3)NC(CH3NH)N(CH3)2][CF3SO3];MINOR-ISOMER

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N''-METHYL-N,N',N-TRIMETHYL-N'-ETHYL-GUANIDINIUM-TRIFLUOROMETHANESULFONATE;[(CH3)(CH2CH3)NC(CH3NH)N(CH3)2][CF3SO3];MINOR-ISOMER
SpectraBase Compound ID CG2nZPiN1bc
InChI InChI=1S/C7H17N3.CHF3O3S/c1-6-10(5)7(8-2)9(3)4;2-1(3,4)8(5,6)7/h6H2,1-5H3;(H,5,6,7)/b8-7-;
InChIKey KJCYTHRQUDTIFA-CFYXSCKTSA-N
Mol Weight 293.31 g/mol
Molecular Formula C8H18F3N3O3S
Exact Mass 293.102097 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B4KqZ2c5sj8
Name N''-METHYL-N,N',N-TRIMETHYL-N'-ETHYL-GUANIDINIUM-TRIFLUOROMETHANESULFONATE;[(CH3)(CH2CH3)NC(CH3NH)N(CH3)2][CF3SO3];MINOR-ISOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H18F3N3O3S
InChI InChI=1S/C7H17N3.CHF3O3S/c1-6-10(5)7(8-2)9(3)4;2-1(3,4)8(5,6)7/h6H2,1-5H3;(H,5,6,7)/b8-7-;
InChIKey KJCYTHRQUDTIFA-CFYXSCKTSA-N
Literature Reference Author N.V.IGNATEV,P.BARTHEN,A.KUCHERYNA,H.WILLNER,P.SARTORI
Literature Reference Citation MOLECULES,17,5319(2012)
Literature Reference DOI 10.3390/molecules17055319
Molecular Weight 293.304 g/mol
Sample ID 1132
Solvent CD3CN