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5-(TERT.-BUTYLAMINO)-2-[(4-METHYLPHENYL)-OXY]-4-PHENYL-3-ISOPROPYLTHIAZOLIUM-CHLORIDE
SpectraBase Compound ID CqTkbbqkpv
InChI InChI=1S/C23H29N2OS.ClH/c1-16(2)25-20(18-10-8-7-9-11-18)21(24-23(4,5)6)27-22(25)26-19-14-12-17(3)13-15-19;/h7-16,24H,1-6H3;1H/q+1;/p-1
InChIKey DOYKGOKKBBGXLE-UHFFFAOYSA-M
Mol Weight 417.01 g/mol
Molecular Formula C23H29ClN2OS
Exact Mass 416.168912 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H9UxLFYoR9X
Name 5-(TERT.-BUTYLAMINO)-2-[(4-METHYLPHENYL)-OXY]-4-PHENYL-3-ISOPROPYLTHIAZOLIUM-CHLORIDE
Compound Number 16B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H29ClN2OS
InChI InChI=1S/C23H29N2OS.ClH/c1-16(2)25-20(18-10-8-7-9-11-18)21(24-23(4,5)6)27-22(25)26-19-14-12-17(3)13-15-19;/h7-16,24H,1-6H3;1H/q+1;/p-1
InChIKey DOYKGOKKBBGXLE-UHFFFAOYSA-M
Literature Reference Author F.BERREE,Y.MALVAUT,E.MARCHAND,G.MOREL
Literature Reference Citation J.ORG.CHEM.,58,6022(1993)
Literature Reference DOI 10.1021/jo00074a032
Molecular Weight 417.009 g/mol
Solvent CDCl3
Source File Reference UWSP10199