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1-BENZAMIDO-3(1H)-1,2-BENZIODOXOLE-3-IMINIUM-TRIFLATE

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1-BENZAMIDO-3(1H)-1,2-BENZIODOXOLE-3-IMINIUM-TRIFLATE
SpectraBase Compound ID HIkwYjFRxGM
InChI InChI=1S/C14H11IN2O2.CHF3O3S/c16-13-11-8-4-5-9-12(11)15(19-13)17-14(18)10-6-2-1-3-7-10;2-1(3,4)8(5,6)7/h1-9,16H,(H,17,18);(H,5,6,7)
InChIKey PMWSIGSECSQACL-UHFFFAOYSA-N
Mol Weight 516.23 g/mol
Molecular Formula C15H12F3IN2O5S
Exact Mass 515.946372 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BsTF3QxE1ps
Name 1-BENZAMIDO-3(1H)-1,2-BENZIODOXOLE-3-IMINIUM-TRIFLATE
Compound Number 12D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H12F3IN2O5S
InChI InChI=1S/C14H11IN2O2.CHF3O3S/c16-13-11-8-4-5-9-12(11)15(19-13)17-14(18)10-6-2-1-3-7-10;2-1(3,4)8(5,6)7/h1-9,16H,(H,17,18);(H,5,6,7)
InChIKey PMWSIGSECSQACL-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 UWLU37662