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N-Ethyl-N,N-di-isopropyl-N-(E)-2-methyl-3-phenylthioallyl-ammonium Trifluoromethanesulphonate
SpectraBase Compound ID HTvB0QMNkht
InChI InChI=1S/C18H30NS.CHF3O3S/c1-7-19(15(2)3,16(4)5)13-17(6)14-20-18-11-9-8-10-12-18;2-1(3,4)8(5,6)7/h8-12,14-16H,7,13H2,1-6H3;(H,5,6,7)/q+1;/p-1/b17-14+;
InChIKey KYBMGPRIOZBDSX-KLSJZZFUSA-M
Mol Weight 441.57 g/mol
Molecular Formula C19H30F3NO3S2
Exact Mass 441.161921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VZOziZEadq
Name N-Ethyl-N,N-di-isopropyl-N-(E)-2-methyl-3-phenylthioallyl-ammonium Trifluoromethanesulphonate
Alternate Name(s) (2E)-N-ethyl-N,N-diisopropyl-2-methyl-3-(phenylsulfanyl)-2-propen-1-aminium trifluoromethanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30F3NO3S2
InChI InChI=1S/C18H30NS.CHF3O3S/c1-7-19(15(2)3,16(4)5)13-17(6)14-20-18-11-9-8-10-12-18;2-1(3,4)8(5,6)7/h8-12,14-16H,7,13H2,1-6H3;(H,5,6,7)/q+1;/p-1/b17-14+;
InChIKey KYBMGPRIOZBDSX-KLSJZZFUSA-M
Molecular Weight 441.568 g/mol
SMILES C([N+](C(C)C)(C(C)C)CC)\C(=C\Sc1ccccc1)C.C(S([O-])(=O)=O)(F)(F)F
SPLASH splash10-03fr-4900000000-ff44ea36b383a0c1c44d
Source of Spectrum KC-1989-1635-18
Wiley ID 1385012