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1-(2,2-DIMETHYLPROPANAMIDO)-3(1H)-1,2-BENZIODOXOLE-3-IMINIUM-TRIFLATE
SpectraBase Compound ID SeTQLNXgCJ
InChI InChI=1S/C12H15IN2O2.CHF3O3S/c1-12(2,3)11(16)15-13-9-7-5-4-6-8(9)10(14)17-13;2-1(3,4)8(5,6)7/h4-7,14H,1-3H3,(H,15,16);(H,5,6,7)
InChIKey FWFGOSCTXNTZCO-UHFFFAOYSA-N
Mol Weight 496.24 g/mol
Molecular Formula C13H16F3IN2O5S
Exact Mass 495.977672 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BxnGZmktj0u
Name 1-(2,2-DIMETHYLPROPANAMIDO)-3(1H)-1,2-BENZIODOXOLE-3-IMINIUM-TRIFLATE
Compound Number 12C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16F3IN2O5S
InChI InChI=1S/C12H15IN2O2.CHF3O3S/c1-12(2,3)11(16)15-13-9-7-5-4-6-8(9)10(14)17-13;2-1(3,4)8(5,6)7/h4-7,14H,1-3H3,(H,15,16);(H,5,6,7)
InChIKey FWFGOSCTXNTZCO-UHFFFAOYSA-N
Literature Reference Author V.V.ZHDANKIN,R.M.ARBIT,J.LYNCH,P.KIPROF,V.G.YOUNG
Literature Reference Citation J.ORG.CHEM.,63,6590(1998)
Literature Reference DOI 10.1021/jo980745b
Solvent CD3CN
Source File Reference UWLU37661