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1-(4-CHLOROPHENYL)-6,7-DIMETHOXY-3-METHYL-N-(5',6'-DIHYDRO-THIAZOLO-[3,2-B]-[1,2,4]-TRIAZOL-2'-YL)-ISOQUINOLINIUM-BROMIDE

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1-(4-CHLOROPHENYL)-6,7-DIMETHOXY-3-METHYL-N-(5',6'-DIHYDRO-THIAZOLO-[3,2-B]-[1,2,4]-TRIAZOL-2'-YL)-ISOQUINOLINIUM-BROMIDE
SpectraBase Compound ID 25ZFBjrXCHs
InChI InChI=1S/C22H20ClN4O2S.BrH/c1-13-10-15-11-18(28-2)19(29-3)12-17(15)20(14-4-6-16(23)7-5-14)27(13)21-24-22-26(25-21)8-9-30-22;/h4-7,10-12H,8-9H2,1-3H3;1H/q+1;/p-1
InChIKey JEKSVXOIHKUCKC-UHFFFAOYSA-M
Mol Weight 519.85 g/mol
Molecular Formula C22H20BrClN4O2S
Exact Mass 518.017888 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3PpZ00mtsvJ
Name 1-(4-CHLOROPHENYL)-6,7-DIMETHOXY-3-METHYL-N-(5',6'-DIHYDRO-THIAZOLO-[3,2-B]-[1,2,4]-TRIAZOL-2'-YL)-ISOQUINOLINIUM-BROMIDE
Compound Number 15/1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20BrClN4O2S
InChI InChI=1S/C22H20ClN4O2S.BrH/c1-13-10-15-11-18(28-2)19(29-3)12-17(15)20(14-4-6-16(23)7-5-14)27(13)21-24-22-26(25-21)8-9-30-22;/h4-7,10-12H,8-9H2,1-3H3;1H/q+1;/p-1
InChIKey JEKSVXOIHKUCKC-UHFFFAOYSA-M
Literature Reference Author I.PRAUDA,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,40,1041(2003)
Literature Reference DOI 10.1002/jhet.5570400612
Molecular Weight 519.843 g/mol
Solvent CDCl3
Source File Reference UWMS22950