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

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1-(2-ADAMANTYLOXY)-3(1H)-1,2-BENZIODOXOLE-3-IMINIUM-TRIFLATE
SpectraBase Compound ID 8nAPqaKiesV
InChI InChI=1S/C17H20INO2.CHF3O3S/c19-17-14-3-1-2-4-15(14)18(21-17)20-16-12-6-10-5-11(8-12)9-13(16)7-10;2-1(3,4)8(5,6)7/h1-4,10-13,16,19H,5-9H2;(H,5,6,7)/t10-,11+,12-,13+,16?;
InChIKey VUCQHVNHNVZHLY-DKZPUXFISA-N
Mol Weight 547.33 g/mol
Molecular Formula C18H21F3INO5S
Exact Mass 547.013723 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IukMYziWikA
Name 1-(2-ADAMANTYLOXY)-3(1H)-1,2-BENZIODOXOLE-3-IMINIUM-TRIFLATE
Compound Number 11D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21F3INO5S
InChI InChI=1S/C17H20INO2.CHF3O3S/c19-17-14-3-1-2-4-15(14)18(21-17)20-16-12-6-10-5-11(8-12)9-13(16)7-10;2-1(3,4)8(5,6)7/h1-4,10-13,16,19H,5-9H2;(H,5,6,7)/t10-,11+,12-,13+,16?;
InChIKey VUCQHVNHNVZHLY-DKZPUXFISA-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 UWLU37658