John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=BSMCLB6dH4U SpectraBase Spectrum ID=2vwg2GPgjjd

(accessed ).
1-ISOPROPYLOXY-3(1H)-1,2-BENZIODOXOLE-3-IMINIUM-TRIFLATE
SpectraBase Compound ID BSMCLB6dH4U
InChI InChI=1S/C10H12INO2.CHF3O3S/c1-7(2)13-11-9-6-4-3-5-8(9)10(12)14-11;2-1(3,4)8(5,6)7/h3-7,12H,1-2H3;(H,5,6,7)
InChIKey DVEKCXNIJLFZFA-UHFFFAOYSA-N
Mol Weight 455.19 g/mol
Molecular Formula C11H13F3INO5S
Exact Mass 454.951131 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vwg2GPgjjd
Name 1-ISOPROPYLOXY-3(1H)-1,2-BENZIODOXOLE-3-IMINIUM-TRIFLATE
Compound Number 11C
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H13F3INO5S
InChI InChI=1S/C10H12INO2.CHF3O3S/c1-7(2)13-11-9-6-4-3-5-8(9)10(12)14-11;2-1(3,4)8(5,6)7/h3-7,12H,1-2H3;(H,5,6,7)
InChIKey DVEKCXNIJLFZFA-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 UWLU37657
SpectraBase Batch ID CshVvNAfKGY