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1-(2-METHYLPROPANAMIDO)-3(1H)-1,2-BENZIODOXOLE-3-IMINIUM-TRIFLATE
SpectraBase Compound ID QXeLVlPAgJ
InChI InChI=1S/C11H13IN2O2.CHF3O3S/c1-7(2)11(15)14-12-9-6-4-3-5-8(9)10(13)16-12;2-1(3,4)8(5,6)7/h3-7,13H,1-2H3,(H,14,15);(H,5,6,7)
InChIKey WGROEIYMVKOYEF-UHFFFAOYSA-N
Mol Weight 482.21 g/mol
Molecular Formula C12H14F3IN2O5S
Exact Mass 481.962022 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9zMhZhKQhvA
Name 1-(2-METHYLPROPANAMIDO)-3(1H)-1,2-BENZIODOXOLE-3-IMINIUM-TRIFLATE
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14F3IN2O5S
InChI InChI=1S/C11H13IN2O2.CHF3O3S/c1-7(2)11(15)14-12-9-6-4-3-5-8(9)10(13)16-12;2-1(3,4)8(5,6)7/h3-7,13H,1-2H3,(H,14,15);(H,5,6,7)
InChIKey WGROEIYMVKOYEF-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 UWLU37660