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1-(4-METHOXYPHENYL)-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-METHOXYPHENYL)-6,7-DIMETHOXY-3-METHYL-N-(5',6'-DIHYDRO-THIAZOLO-[3,2-B]-[1,2,4]-TRIAZOL-2'-YL)-ISOQUINOLINIUM-BROMIDE
SpectraBase Compound ID 3b0ops1kWPT
InChI InChI=1S/C23H23N4O3S.BrH/c1-14-11-16-12-19(29-3)20(30-4)13-18(16)21(15-5-7-17(28-2)8-6-15)27(14)22-24-23-26(25-22)9-10-31-23;/h5-8,11-13H,9-10H2,1-4H3;1H/q+1;/p-1
InChIKey AIEZXFFWWHEWSO-UHFFFAOYSA-M
Mol Weight 515.43 g/mol
Molecular Formula C23H23BrN4O3S
Exact Mass 514.067425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3KpV3lS2KXZ
Name 1-(4-METHOXYPHENYL)-6,7-DIMETHOXY-3-METHYL-N-(5',6'-DIHYDRO-THIAZOLO-[3,2-B]-[1,2,4]-TRIAZOL-2'-YL)-ISOQUINOLINIUM-BROMIDE
Compound Number 15/2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H23BrN4O3S
InChI InChI=1S/C23H23N4O3S.BrH/c1-14-11-16-12-19(29-3)20(30-4)13-18(16)21(15-5-7-17(28-2)8-6-15)27(14)22-24-23-26(25-22)9-10-31-23;/h5-8,11-13H,9-10H2,1-4H3;1H/q+1;/p-1
InChIKey AIEZXFFWWHEWSO-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 515.425 g/mol
Solvent CDCl3
Source File Reference UWMS22951