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(1S,2S,4S,5S)-2-IODOMETHYL-5-(15-NITROPHENYL-ETHYNYL)-1-AZABICYCLO-[2.2.2]-OCTANE
SpectraBase Compound ID BF9sty69GsE
InChI InChI=1S/C16H17IN2O2/c17-10-16-9-13-7-8-18(16)11-14(13)4-1-12-2-5-15(6-3-12)19(20)21/h2-3,5-6,13-14,16H,7-11H2/t13-,14-,16-/m0/s1
InChIKey HXTFPTGTZJVOOB-DZKIICNBSA-N
Mol Weight 396.23 g/mol
Molecular Formula C16H17IN2O2
Exact Mass 396.033473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JyubppkiWzk
Name (1S,2S,4S,5S)-2-IODOMETHYL-5-(15-NITROPHENYL-ETHYNYL)-1-AZABICYCLO-[2.2.2]-OCTANE
Compound Number 17B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H17IN2O2
InChI InChI=1S/C16H17IN2O2/c17-10-16-9-13-7-8-18(16)11-14(13)4-1-12-2-5-15(6-3-12)19(20)21/h2-3,5-6,13-14,16H,7-11H2/t13-,14-,16-/m0/s1
InChIKey HXTFPTGTZJVOOB-DZKIICNBSA-N
Literature Reference Author S.ROEPER,J.FRACKENPOHL,O.SCHRAKE,R.WARTCHOW,H.M.R.HOFFMANN
Literature Reference Citation ORG.LETTERS,2,1661(2000)
Literature Reference DOI 10.1021/ol0057378
Molecular Weight 396.228 g/mol
Solvent CDCl3
Source File Reference UWSI25868