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2-Benzyl-3-oxo-6-exo-[3-jodo-4-(3,5-dijodo-4-methylphenoxy)-phenoxy]-2-azabicyclo-[2.2.1]-heptane
SpectraBase Compound ID I61pkhas7bY
InChI InChI=1S/C26H22I3NO3/c1-15-20(27)12-19(13-21(15)28)33-24-8-7-18(11-22(24)29)32-25-10-17-9-23(25)30(26(17)31)14-16-5-3-2-4-6-16/h2-8,11-13,17,23,25H,9-10,14H2,1H3/t17-,23+,25+/m0/s1
InChIKey YHBIROULUKTCLL-FIMBPPNMSA-N
Mol Weight 777.18 g/mol
Molecular Formula C26H22I3NO3
Exact Mass 776.873379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KhhIJjl5sns
Name 2-BENZYL-3-OXO-6-EXO-[3-JODO-4-(3,5-DIJODO-4-METHYLPHENOXY)-PHENOXY]-2-AZABICYCLO-[2.2.1]-HEPTANE
CAS Registry Number 78805-48-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H22I3NO3
InChI InChI=1S/C26H22I3NO3/c1-15-20(27)12-19(13-21(15)28)33-24-8-7-18(11-22(24)29)32-25-10-17-9-23(25)30(26(17)31)14-16-5-3-2-4-6-16/h2-8,11-13,17,23,25H,9-10,14H2,1H3/t17-,23+,25+/m0/s1
InChIKey YHBIROULUKTCLL-FIMBPPNMSA-N
Literature Reference Author P.H.MAZZOCCHI,H.L.AMMON,L.LIU,E.COLICELLI,P.RAVI,E.BURROWS
Literature Reference Citation J.ORG.CHEM.,46,4530(1981)
Literature Reference DOI 10.1021/jo00335a042
Molecular Weight 777.179 g/mol
Solvent CDCl3
Source File Reference UNIW18911