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5-(TERT.-BUTYLAMINO)-3-ETHYL-4-PHENYL-2-(PHENYLTHIO)-THIAZOLIUM-CHLORIDE
SpectraBase Compound ID 3OoKgaPPpgr
InChI InChI=1S/C21H25N2S2.ClH/c1-5-23-18(16-12-8-6-9-13-16)19(22-21(2,3)4)25-20(23)24-17-14-10-7-11-15-17;/h6-15,22H,5H2,1-4H3;1H/q+1;/p-1
InChIKey ZMDRCORYPVKTEP-UHFFFAOYSA-M
Mol Weight 405.02 g/mol
Molecular Formula C21H25ClN2S2
Exact Mass 404.114769 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5U5pwqWrz4G
Name 5-(TERT.-BUTYLAMINO)-3-ETHYL-4-PHENYL-2-(PHENYLTHIO)-THIAZOLIUM-CHLORIDE
Compound Number 16F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25ClN2S2
InChI InChI=1S/C21H25N2S2.ClH/c1-5-23-18(16-12-8-6-9-13-16)19(22-21(2,3)4)25-20(23)24-17-14-10-7-11-15-17;/h6-15,22H,5H2,1-4H3;1H/q+1;/p-1
InChIKey ZMDRCORYPVKTEP-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 405.016 g/mol
Solvent CDCl3
Source File Reference UWSP10202