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1,3-BIS-[(2-CHLORO-5-NITROPHENYL)-PHENYLMETHYL]-IMIDAZOLIUM-BROMIDE;MESO-STEREOISOMER
SpectraBase Compound ID EP8E11Ai6yo
InChI InChI=1S/C29H21Cl2N4O4.BrH/c30-26-13-11-22(34(36)37)17-24(26)28(20-7-3-1-4-8-20)32-15-16-33(19-32)29(21-9-5-2-6-10-21)25-18-23(35(38)39)12-14-27(25)31;/h1-19,28-29H;1H/q+1;/p-1
InChIKey IZRPYKZABWPMBJ-UHFFFAOYSA-M
Mol Weight 640.32 g/mol
Molecular Formula C29H21BrCl2N4O4
Exact Mass 638.012324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ojrvtWONho
Name 1,3-BIS-[(2-CHLORO-5-NITROPHENYL)-PHENYLMETHYL]-IMIDAZOLIUM-BROMIDE;MESO-STEREOISOMER
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H21BrCl2N4O4
InChI InChI=1S/C29H21Cl2N4O4.BrH/c30-26-13-11-22(34(36)37)17-24(26)28(20-7-3-1-4-8-20)32-15-16-33(19-32)29(21-9-5-2-6-10-21)25-18-23(35(38)39)12-14-27(25)31;/h1-19,28-29H;1H/q+1;/p-1
InChIKey IZRPYKZABWPMBJ-UHFFFAOYSA-M
Literature Reference Author J.FRIGOLA,A.COLOMBO,J.MAS,J.PARES
Literature Reference Citation J.HETCYCL.CHEM.,24,399(1987)
Literature Reference DOI 10.1002/jhet.5570240220
Molecular Weight 640.320 g/mol
Solvent DMSO-D6
Source File Reference UWED7385