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1-HEPTYL-4-(1H,1H,2H,2H-PERFLUOROOCTYL)-1,2,4-TRIAZOLIUM-BIS-(TRIFLUOROMETHANE-SULFONYL)-AMIDE
SpectraBase Compound ID 9BsIsXKcRoM
InChI InChI=1S/C17H21F13N3.C2F6NO4S2/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;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10-11H,2-9H2,1H3;/q+1;-1
InChIKey GELIBNZXFQORIK-UHFFFAOYSA-N
Mol Weight 794.49 g/mol
Molecular Formula C19H21F19N4O4S2
Exact Mass 794.070083 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KpTvLVoR3Ib
Name 1-HEPTYL-4-(1H,1H,2H,2H-PERFLUOROOCTYL)-1,2,4-TRIAZOLIUM-BIS-(TRIFLUOROMETHANE-SULFONYL)-AMIDE
Compound Number 5 J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H21F19N4O4S2
InChI InChI=1S/C17H21F13N3.C2F6NO4S2/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;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10-11H,2-9H2,1H3;/q+1;-1
InChIKey GELIBNZXFQORIK-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 UWMS25349