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1-HEPTYL-4-(1H,1H,2H,2H-PERFLUOROOCTYL)-1,2,4-TRIAZOLIUM-IODIDE
SpectraBase Compound ID FuDaSnLMjJy
InChI InChI=1S/C17H21F13N3.HI/c1-2-3-4-5-6-8-33-11-32(10-31-33)9-7-12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30;/h10-11H,2-9H2,1H3;1H/q+1;/p-1
InChIKey WSNGTIDOXUVSIA-UHFFFAOYSA-M
Mol Weight 641.26 g/mol
Molecular Formula C17H21F13IN3
Exact Mass 641.057259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4v1WMedTVYo
Name 1-HEPTYL-4-(1H,1H,2H,2H-PERFLUOROOCTYL)-1,2,4-TRIAZOLIUM-IODIDE
Compound Number 4J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21F13IN3
InChI InChI=1S/C17H21F13N3.HI/c1-2-3-4-5-6-8-33-11-32(10-31-33)9-7-12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30;/h10-11H,2-9H2,1H3;1H/q+1;/p-1
InChIKey WSNGTIDOXUVSIA-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 641.258 g/mol
Solvent ACETONE-D6
Source File Reference UWMS25346