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1,4,5-TRIMETHYL-3-PERFLUOROOCTYL-1,2,4-TRIAZOLIUM-IODIDE
SpectraBase Compound ID C2DHmGVJ7U3
InChI InChI=1S/C13H9F17N3.HI/c1-4-32(2)5(31-33(4)3)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30;/h1-3H3;1H/q+1;/p-1
InChIKey IGCLYERWQDEARD-UHFFFAOYSA-M
Mol Weight 657.11 g/mol
Molecular Formula C13H9F17IN3
Exact Mass 656.956971 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DsmdMNXnQeJ
Name 1,4,5-TRIMETHYL-3-PERFLUOROOCTYL-1,2,4-TRIAZOLIUM-IODIDE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H9F17IN3
InChI InChI=1S/C13H9F17N3.HI/c1-4-32(2)5(31-33(4)3)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30;/h1-3H3;1H/q+1;/p-1
InChIKey IGCLYERWQDEARD-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
Molecular Weight 657.112 g/mol
Solvent DMSO-D6
Source File Reference UWVN21873