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4-(DIMETHYLAMINO)-N-(5,6-DIMETHYL-1H-BENZIMIDAZOL-2-YL-METHYL)-PYRIDINIUM-CHLORIDE
SpectraBase Compound ID 5tLsNDZXr2k
InChI InChI=1S/C17H21N4.ClH/c1-12-9-15-16(10-13(12)2)19-17(18-15)11-21-7-5-14(6-8-21)20(3)4;/h5-10H,11H2,1-4H3,(H,18,19);1H/q+1;/p-1
InChIKey GOELDBAFBIHDDC-UHFFFAOYSA-M
Mol Weight 316.84 g/mol
Molecular Formula C17H21ClN4
Exact Mass 316.145474 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EGeUInE76eN
Name 4-(DIMETHYLAMINO)-N-(5,6-DIMETHYL-1H-BENZIMIDAZOL-2-YL-METHYL)-PYRIDINIUM-CHLORIDE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21ClN4
InChI InChI=1S/C17H21N4.ClH/c1-12-9-15-16(10-13(12)2)19-17(18-15)11-21-7-5-14(6-8-21)20(3)4;/h5-10H,11H2,1-4H3,(H,18,19);1H/q+1;/p-1
InChIKey GOELDBAFBIHDDC-UHFFFAOYSA-M
Literature Reference Author E.ALCALDE,L.PEREZ-GARCIA,C.MIRAVITLLES,J.RIUS,E.VALENTI
Literature Reference Citation J.ORG.CHEM.,57,4829(1992)
Literature Reference DOI 10.1021/jo00044a014
Molecular Weight 316.834 g/mol
Solvent DMSO-D6
Source File Reference UWCS13724