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1-BUTYL-4-(1H,1H,2H,2H-PERFLUOROHEXYL)-1,2,4-TRIAZOLIUM-BIS-(TRIFLUOROMETHANE-SULFONYL)-AMIDE

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1-BUTYL-4-(1H,1H,2H,2H-PERFLUOROHEXYL)-1,2,4-TRIAZOLIUM-BIS-(TRIFLUOROMETHANE-SULFONYL)-AMIDE
SpectraBase Compound ID CcTM3uUTpbJ
InChI InChI=1S/C12H15F9N3.C2F6NO4S2/c1-2-3-5-24-8-23(7-22-24)6-4-9(13,14)10(15,16)11(17,18)12(19,20)21;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7-8H,2-6H2,1H3;/q+1;-1
InChIKey WBOPBBLWUMOYTM-UHFFFAOYSA-N
Mol Weight 652.39 g/mol
Molecular Formula C14H15F15N4O4S2
Exact Mass 652.02952 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IzG4Yncx6f6
Name 1-BUTYL-4-(1H,1H,2H,2H-PERFLUOROHEXYL)-1,2,4-TRIAZOLIUM-BIS-(TRIFLUOROMETHANE-SULFONYL)-AMIDE
Compound Number 5E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H15F15N4O4S2
InChI InChI=1S/C12H15F9N3.C2F6NO4S2/c1-2-3-5-24-8-23(7-22-24)6-4-9(13,14)10(15,16)11(17,18)12(19,20)21;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7-8H,2-6H2,1H3;/q+1;-1
InChIKey WBOPBBLWUMOYTM-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
Molecular Weight 652.394 g/mol
Solvent ACETONE-D6
Source File Reference UWMS25348