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1-BUTYL-4-(1H,1H,2H,2H-PERFLUOROOCTYL)-1,2,4-TRIAZOLIUM-IODIDE
SpectraBase Compound ID 5ylubCNi74U
InChI InChI=1S/C14H15F13N3.HI/c1-2-3-5-30-8-29(7-28-30)6-4-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27;/h7-8H,2-6H2,1H3;1H/q+1;/p-1
InChIKey XVMCONFWDPFVKB-UHFFFAOYSA-M
Mol Weight 599.18 g/mol
Molecular Formula C14H15F13IN3
Exact Mass 599.010309 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KmHQKmfSPuS
Name 1-BUTYL-4-(1H,1H,2H,2H-PERFLUOROOCTYL)-1,2,4-TRIAZOLIUM-IODIDE
Compound Number 4I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H15F13IN3
InChI InChI=1S/C14H15F13N3.HI/c1-2-3-5-30-8-29(7-28-30)6-4-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27;/h7-8H,2-6H2,1H3;1H/q+1;/p-1
InChIKey XVMCONFWDPFVKB-UHFFFAOYSA-M
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
Molecular Weight 599.177 g/mol
Solvent ACETONE-D6
Source File Reference UWMS25345