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1,4,5-TRIMETHYL-3-TRIFLUOROMETHYL-1,2,4-TRIAZOLIUM-TRIFLUOROMETHANESULFONATE

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1,4,5-TRIMETHYL-3-TRIFLUOROMETHYL-1,2,4-TRIAZOLIUM-TRIFLUOROMETHANESULFONATE
SpectraBase Compound ID 5XZflpbRDXA
InChI InChI=1S/C6H9F3N3.CHF3O3S/c1-4-11(2)5(6(7,8)9)10-12(4)3;2-1(3,4)8(5,6)7/h1-3H3;(H,5,6,7)/q+1;/p-1
InChIKey OZMJXVVGHVUHNM-UHFFFAOYSA-M
Mol Weight 329.22 g/mol
Molecular Formula C7H9F6N3O3S
Exact Mass 329.026881 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID vLIEEA9D59
Name 1,4,5-TRIMETHYL-3-TRIFLUOROMETHYL-1,2,4-TRIAZOLIUM-TRIFLUOROMETHANESULFONATE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H9F6N3O3S
InChI InChI=1S/C6H9F3N3.CHF3O3S/c1-4-11(2)5(6(7,8)9)10-12(4)3;2-1(3,4)8(5,6)7/h1-3H3;(H,5,6,7)/q+1;/p-1
InChIKey OZMJXVVGHVUHNM-UHFFFAOYSA-M
Literature Reference Author H.XUE,B.TWAMLEY,J.M.SHREEVE
Literature Reference Citation J.ORG.CHEM.,69,1397(2004)
Literature Reference DOI 10.1021/jo0356107
Solvent Unknown
Source File Reference UWVN21875