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1-(4-METHOXYPHENYL)-6,7-DIMETHOXY-3-METHYL-N-(6',7'-DIHYDRO-5'H-[1,2,4]-TRIAZOLO-[5,1-B]-[1,3]-THIAZIN-2'-YL)-ISOQUINOLINIUM-BROMIDE

View entire compound with spectra: 1 NMR

1-(4-METHOXYPHENYL)-6,7-DIMETHOXY-3-METHYL-N-(6',7'-DIHYDRO-5'H-[1,2,4]-TRIAZOLO-[5,1-B]-[1,3]-THIAZIN-2'-YL)-ISOQUINOLINIUM-BROMIDE
SpectraBase Compound ID HyoUL5zw4t0
InChI InChI=1S/C24H25N4O3S.BrH/c1-15-12-17-13-20(30-3)21(31-4)14-19(17)22(16-6-8-18(29-2)9-7-16)28(15)23-25-24-27(26-23)10-5-11-32-24;/h6-9,12-14H,5,10-11H2,1-4H3;1H/q+1;/p-1
InChIKey AXQJEMUEDCSKLY-UHFFFAOYSA-M
Mol Weight 529.45 g/mol
Molecular Formula C24H25BrN4O3S
Exact Mass 528.083075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1RzfWI1EYLq
Name 1-(4-METHOXYPHENYL)-6,7-DIMETHOXY-3-METHYL-N-(6',7'-DIHYDRO-5'H-[1,2,4]-TRIAZOLO-[5,1-B]-[1,3]-THIAZIN-2'-YL)-ISOQUINOLINIUM-BROMIDE
Compound Number 16/2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H25BrN4O3S
InChI InChI=1S/C24H25N4O3S.BrH/c1-15-12-17-13-20(30-3)21(31-4)14-19(17)22(16-6-8-18(29-2)9-7-16)28(15)23-25-24-27(26-23)10-5-11-32-24;/h6-9,12-14H,5,10-11H2,1-4H3;1H/q+1;/p-1
InChIKey AXQJEMUEDCSKLY-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 529.452 g/mol
Solvent DMSO-D6
Source File Reference UWMS22954