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1,1-DI-1-(PARA-IODOPHENYL-2,5-DIMETHYLPYRROL-3-YL)-CYCLOHEPTANE
SpectraBase Compound ID 3ax2W3xJx7g
InChI InChI=1S/C31H34I2N2/c1-21-19-29(23(3)34(21)27-13-9-25(32)10-14-27)31(17-7-5-6-8-18-31)30-20-22(2)35(24(30)4)28-15-11-26(33)12-16-28/h9-16,19-20H,5-8,17-18H2,1-4H3
InChIKey MOHJSIMCUUSTGC-UHFFFAOYSA-N
Mol Weight 688.4 g/mol
Molecular Formula C31H34I2N2
Exact Mass 688.081139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Z064EY4H6R
Name 1,1-DI-1-(PARA-IODOPHENYL-2,5-DIMETHYLPYRROL-3-YL)-CYCLOHEPTANE
Compound Number VI-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H34I2N2
InChI InChI=1S/C31H34I2N2/c1-21-19-29(23(3)34(21)27-13-9-25(32)10-14-27)31(17-7-5-6-8-18-31)30-20-22(2)35(24(30)4)28-15-11-26(33)12-16-28/h9-16,19-20H,5-8,17-18H2,1-4H3
InChIKey MOHJSIMCUUSTGC-UHFFFAOYSA-N
Literature Reference Author O.PUSHECHNIKOV,S.P.IVONIN,A.A.CHAIKOVSKAYA,T.N.KUDRYA,V.V.PI ROZHENKO,A.A.TOLMACH
Literature Reference Citation CHEM.HET.COMP.,35,1313(1999)
Literature Reference DOI 10.1007/bf02252000
Molecular Weight 688.433 g/mol
Solvent CDCl3
Source File Reference UWMZ15068