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1,3-BIS-[(2-METHOXY-5-NITROPHENYL)-PHENYLMETHYL]-IMIDAZOLIUM-BROMIDE;MESO-STEREOISOMER
SpectraBase Compound ID TW1vnWOOi8
InChI InChI=1S/C31H27N4O6.BrH/c1-40-28-15-13-24(34(36)37)19-26(28)30(22-9-5-3-6-10-22)32-17-18-33(21-32)31(23-11-7-4-8-12-23)27-20-25(35(38)39)14-16-29(27)41-2;/h3-21,30-31H,1-2H3;1H/q+1;/p-1
InChIKey XVNVBTLYSWNWHJ-UHFFFAOYSA-M
Mol Weight 631.48 g/mol
Molecular Formula C31H27BrN4O6
Exact Mass 630.111398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9mk1F4tLU8e
Name 1,3-BIS-[(2-METHOXY-5-NITROPHENYL)-PHENYLMETHYL]-IMIDAZOLIUM-BROMIDE;DL-ISOMER
Compound Number 15C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H27BrN4O6
InChI InChI=1S/C31H27N4O6.BrH/c1-40-28-15-13-24(34(36)37)19-26(28)30(22-9-5-3-6-10-22)32-17-18-33(21-32)31(23-11-7-4-8-12-23)27-20-25(35(38)39)14-16-29(27)41-2;/h3-21,30-31H,1-2H3;1H/q+1;/p-1
InChIKey XVNVBTLYSWNWHJ-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 631.483 g/mol
Solvent DMSO-D6
Source File Reference UWED7388