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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 7ZO1hcnGZ8n
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
InChIKey XAYBEQRZJQOYRA-UHFFFAOYSA-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 BDa1tgMxp1G
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
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
InChIKey XAYBEQRZJQOYRA-UHFFFAOYSA-N
Instrument Name SF = 100 MHz
Literature Reference J. Org. Chem. 46, 4530 (1981).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3