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1-Heptyl-4-(1H,1H,2H,2H-perfluorohexyl)-1,2,4-triazolium hexafluorophosphate

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1-Heptyl-4-(1H,1H,2H,2H-perfluorohexyl)-1,2,4-triazolium hexafluorophosphate
SpectraBase Compound ID 5IFZiaztGqD
InChI InChI=1S/C15H21F9N3.F6P/c1-2-3-4-5-6-8-27-11-26(10-25-27)9-7-12(16,17)13(18,19)14(20,21)15(22,23)24;1-7(2,3,4,5)6/h10-11H,2-9H2,1H3;/q+1;-1
InChIKey QLRWFKRUYPXCLS-UHFFFAOYSA-N
Mol Weight 559.3 g/mol
Molecular Formula C15H21F15N3P
Exact Mass 559.123357 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2K2y3SG3VOQ
Name 1-HEPTYL-4-(1H,1H,2H,2H-PERFLUOROHEXYL)-1,2,4-TRIAZOLIUM-HEXAFLUOROPHOSPHATE
Compound Number 5P
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H21F15N3P
InChI InChI=1S/C15H21F9N3.F6P/c1-2-3-4-5-6-8-27-11-26(10-25-27)9-7-12(16,17)13(18,19)14(20,21)15(22,23)24;1-7(2,3,4,5)6/h10-11H,2-9H2,1H3;/q+1;-1
InChIKey QLRWFKRUYPXCLS-UHFFFAOYSA-N
Literature Reference Author Y.R.MIRZAEI,B.TWAMLEY,J.M.SHREEVE
Literature Reference Citation J.ORG.CHEM.,67,9340(2002)
Literature Reference DOI 10.1021/jo026350g
Solvent ACETONE-D6
Source File Reference UWMS25352