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2-Benzyl-3-oxo-6-exo-[3-isopropyl-4-(3,5-dijodo-4-methylphenoxy)-phenoxy]-2-azabicyclo-[2.2.1]-heptane
SpectraBase Compound ID 58zxrLa4i7f
InChI InChI=1S/C29H29I2NO3/c1-17(2)23-13-21(9-10-27(23)35-22-14-24(30)18(3)25(31)15-22)34-28-12-20-11-26(28)32(29(20)33)16-19-7-5-4-6-8-19/h4-10,13-15,17,20,26,28H,11-12,16H2,1-3H3/t20-,26+,28+/m0/s1
InChIKey YDEFHGALBDNHEU-TUDQOENJSA-N
Mol Weight 693.36 g/mol
Molecular Formula C29H29I2NO3
Exact Mass 693.023684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ZWGW09wizN
Name 2-BENZYL-3-OXO-6-EXO-[3-ISOPROPYL-4-(3,5-DIJODO-4-METHYLPHENOXY)-PHENOXY]-2-AZABICYCLO-[2.2.1]-HEPTANE
CAS Registry Number 78805-50-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H29I2NO3
InChI InChI=1S/C29H29I2NO3/c1-17(2)23-13-21(9-10-27(23)35-22-14-24(30)18(3)25(31)15-22)34-28-12-20-11-26(28)32(29(20)33)16-19-7-5-4-6-8-19/h4-10,13-15,17,20,26,28H,11-12,16H2,1-3H3/t20-,26+,28+/m0/s1
InChIKey YDEFHGALBDNHEU-TUDQOENJSA-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 693.363 g/mol
Solvent CDCl3
Source File Reference UNIW18912