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1,4,5-TRIMETHYL-3-PERFLUOROOCTYL-1,2,4-TRIAZOLIUM-PERCHLORATE

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1,4,5-TRIMETHYL-3-PERFLUOROOCTYL-1,2,4-TRIAZOLIUM-PERCHLORATE
SpectraBase Compound ID FMUelHjSthn
InChI InChI=1S/C13H9F17N3.ClHO4/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;2-1(3,4)5/h1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKey PXGDWVHQCOCVSA-UHFFFAOYSA-M
Mol Weight 629.66 g/mol
Molecular Formula C13H9ClF17N3O4
Exact Mass 629.001012 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DbQy4e6uE2c
Name 1,4,5-TRIMETHYL-3-PERFLUOROOCTYL-1,2,4-TRIAZOLIUM-PERCHLORATE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H9ClF17N3O4
InChI InChI=1S/C13H9F17N3.ClHO4/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;2-1(3,4)5/h1-3H3;(H,2,3,4,5)/q+1;/p-1
InChIKey PXGDWVHQCOCVSA-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 629.658 g/mol
Solvent Unknown
Source File Reference UWVN21880