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2-Benzyl-3-oxo-6-exo-[3,5-dijodo-4-methyl-phenoxy]-2-azabicyclo-[2.2.1]-heptane
SpectraBase Compound ID 2c2MLIu15nb
InChI InChI=1S/C20H19I2NO2/c1-12-16(21)9-15(10-17(12)22)25-19-8-14-7-18(19)23(20(14)24)11-13-5-3-2-4-6-13/h2-6,9-10,14,18-19H,7-8,11H2,1H3/t14-,18+,19+/m0/s1
InChIKey XAYBEQRZJQOYRA-GDIGMMSISA-N
Mol Weight 559.19 g/mol
Molecular Formula C20H19I2NO2
Exact Mass 558.950519 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5OSfgXz57d2
Name 2-BENZYL-3-OXO-6-EXO-[3,5-DIJODO-4-METHYL-PHENOXY]-2-AZABICYCLO-[2.2.1]-HEPTANE
CAS Registry Number 75422-81-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H19I2NO2
InChI InChI=1S/C20H19I2NO2/c1-12-16(21)9-15(10-17(12)22)25-19-8-14-7-18(19)23(20(14)24)11-13-5-3-2-4-6-13/h2-6,9-10,14,18-19H,7-8,11H2,1H3/t14-,18+,19+/m0/s1
InChIKey XAYBEQRZJQOYRA-GDIGMMSISA-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 559.185 g/mol
Solvent CDCl3
Source File Reference UNIW18908