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1,4,5-TRIMETHYL-3-TRIFLUOROMETHYL-1,2,4-TRIAZOLIUM-BIS-(TRIFLUOROMETHANESULFONYL)-AMIDE
SpectraBase Compound ID JI14gBuWkxT
InChI InChI=1S/C6H9F3N3.C2F6NO4S2/c1-4-11(2)5(6(7,8)9)10-12(4)3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h1-3H3;/q+1;-1
InChIKey VWOWTLIFBMGUKN-UHFFFAOYSA-N
Mol Weight 460.29 g/mol
Molecular Formula C8H9F9N4O4S2
Exact Mass 459.992151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gf8SkAcDALR
Name 1,4,5-TRIMETHYL-3-TRIFLUOROMETHYL-1,2,4-TRIAZOLIUM-BIS-(TRIFLUOROMETHANESULFONYL)-AMIDE
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H9F9N4O4S2
InChI InChI=1S/C6H9F3N3.C2F6NO4S2/c1-4-11(2)5(6(7,8)9)10-12(4)3;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h1-3H3;/q+1;-1
InChIKey VWOWTLIFBMGUKN-UHFFFAOYSA-N
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
Molecular Weight 460.289 g/mol
Solvent Unknown
Source File Reference UWVN21874