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1-HEPTYL-4-(1-FLUOROETHYL)-1,2,4-TRIAZOLIUM-BIS-(TRIFLUOROMETHANE-SULFONYL)-AMIDE
SpectraBase Compound ID 6XapVgwjIjx
InChI InChI=1S/C11H21FN3.C2F6NO4S2/c1-2-3-4-5-6-8-15-11-14(9-7-12)10-13-15;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10-11H,2-9H2,1H3;/q+1;-1
InChIKey MWRWHGRLHYXJGG-UHFFFAOYSA-N
Mol Weight 494.44 g/mol
Molecular Formula C13H21F7N4O4S2
Exact Mass 494.089245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LUoniruOG5t
Name 1-HEPTYL-4-(1-FLUOROETHYL)-1,2,4-TRIAZOLIUM-BIS-(TRIFLUOROMETHANE-SULFONYL)-AMIDE
Compound Number 5K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H21F7N4O4S2
InChI InChI=1S/C11H21FN3.C2F6NO4S2/c1-2-3-4-5-6-8-15-11-14(9-7-12)10-13-15;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h10-11H,2-9H2,1H3;/q+1;-1
InChIKey MWRWHGRLHYXJGG-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 494.443 g/mol
Solvent ACETONE-D6
Source File Reference UWMS25350