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1-(4-CHLOROPHENYL)-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-CHLOROPHENYL)-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 4mXqBONgraB
InChI InChI=1S/C23H22ClN4O2S.BrH/c1-14-11-16-12-19(29-2)20(30-3)13-18(16)21(15-5-7-17(24)8-6-15)28(14)22-25-23-27(26-22)9-4-10-31-23;/h5-8,11-13H,4,9-10H2,1-3H3;1H/q+1;/p-1
InChIKey AFIDTERYICFRKX-UHFFFAOYSA-M
Mol Weight 533.87 g/mol
Molecular Formula C23H22BrClN4O2S
Exact Mass 532.033538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 36BlZUygzNB
Name 1-(4-CHLOROPHENYL)-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 16/1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H22BrClN4O2S
InChI InChI=1S/C23H22ClN4O2S.BrH/c1-14-11-16-12-19(29-2)20(30-3)13-18(16)21(15-5-7-17(24)8-6-15)28(14)22-25-23-27(26-22)9-4-10-31-23;/h5-8,11-13H,4,9-10H2,1-3H3;1H/q+1;/p-1
InChIKey AFIDTERYICFRKX-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 533.870 g/mol
Solvent CDCl3
Source File Reference UWMS22953