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1,3-BIS-(3-ETHYL-1,3-DIMETHYL-2-INDOLINYL)-TRIMETHINIUM-IODIDE;RACEM-FORM
SpectraBase Compound ID Eb54PpGUEpZ
InChI InChI=1S/C27H33N2.HI/c1-7-26(3)20-14-9-11-16-22(20)28(5)24(26)18-13-19-25-27(4,8-2)21-15-10-12-17-23(21)29(25)6;/h9-19H,7-8H2,1-6H3;1H/q+1;/p-1
InChIKey BCIWVZVFKSIHAB-UHFFFAOYSA-M
Mol Weight 512.5 g/mol
Molecular Formula C27H33IN2
Exact Mass 512.168844 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5wK20LQOdBi
Name 1,3-BIS-(3-ETHYL-1,3-DIMETHYL-2-INDOLINYL)-TRIMETHINIUM-IODIDE;MESO-FORM
CAS Registry Number 124244-80-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H33IN2
InChI InChI=1S/C27H33N2.HI/c1-7-26(3)20-14-9-11-16-22(20)28(5)24(26)18-13-19-25-27(4,8-2)21-15-10-12-17-23(21)29(25)6;/h9-19H,7-8H2,1-6H3;1H/q+1;/p-1
InChIKey BCIWVZVFKSIHAB-UHFFFAOYSA-M
Literature Reference Author C.REICHARDT,H.D.ENGEL,R.ALLMANN,D.KUCHARCZYK,M.KRESTEL
Literature Reference Citation CHEM.BER.,123,565(1990)
Literature Reference DOI 10.1002/cber.19901230324
Molecular Weight 512.477 g/mol
Solvent CDCl3
Source File Reference UWED17792