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1-PROPANAMIDO-3(1H)-1,2-BENZIODOXOLE-3-IMINIUM-TRIFLATE
SpectraBase Compound ID 4nPadO3DdQd
InChI InChI=1S/C10H11IN2O2.CHF3O3S/c1-2-9(14)13-11-8-6-4-3-5-7(8)10(12)15-11;2-1(3,4)8(5,6)7/h3-6,12H,2H2,1H3,(H,13,14);(H,5,6,7)
InChIKey DZOTWRPADHJEDM-UHFFFAOYSA-N
Mol Weight 468.19 g/mol
Molecular Formula C11H12F3IN2O5S
Exact Mass 467.946372 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A4gj6386P6C
Name 1-PROPANAMIDO-3(1H)-1,2-BENZIODOXOLE-3-IMINIUM-TRIFLATE
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12F3IN2O5S
InChI InChI=1S/C10H11IN2O2.CHF3O3S/c1-2-9(14)13-11-8-6-4-3-5-7(8)10(12)15-11;2-1(3,4)8(5,6)7/h3-6,12H,2H2,1H3,(H,13,14);(H,5,6,7)
InChIKey DZOTWRPADHJEDM-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 UWLU37659