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4,5-DIBUTYL-1-[[3-TERT.-BUTYL-5-(CHLOROMETHYL)-PHENYL]-METHYL]-IMIDAZOLIUM-CHLORIDE
SpectraBase Compound ID KgxPbaMzeJD
InChI InChI=1S/C23H35ClN2.ClH/c1-6-8-10-21-22(11-9-7-2)26(17-25-21)16-19-12-18(15-24)13-20(14-19)23(3,4)5;/h12-14,17H,6-11,15-16H2,1-5H3;1H
InChIKey BBXHEFDJPDDOFH-UHFFFAOYSA-N
Mol Weight 411.5 g/mol
Molecular Formula C23H36Cl2N2
Exact Mass 410.225555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID aJuhj5rORr
Name 4,5-DIBUTYL-1-[[3-TERT.-BUTYL-5-(CHLOROMETHYL)-PHENYL]-METHYL]-IMIDAZOLIUM-CHLORIDE
Compound Number 18C.HCL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H36Cl2N2
InChI InChI=1S/C23H35ClN2.ClH/c1-6-8-10-21-22(11-9-7-2)26(17-25-21)16-19-12-18(15-24)13-20(14-19)23(3,4)5;/h12-14,17H,6-11,15-16H2,1-5H3;1H
InChIKey BBXHEFDJPDDOFH-UHFFFAOYSA-N
Literature Reference Author E.ALCALDE,C.AYALA,I.DINARES,N.MESQUIDA
Literature Reference Citation J.ORG.CHEM.,66,2291(2001)
Literature Reference DOI 10.1021/jo0056794
Molecular Weight 411.458 g/mol
Solvent CDCl3
Source File Reference UWLU26530