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6,7-DIMETHOXY-3-METHYL-1-(4-NITROPHENYL)-N-(5',6'-DIHYDRO-THIAZOLO-[3,2-B]-[1,2,4]-TRIAZOL-2'-YL)-ISOQUINOLINIUM-BROMIDE
SpectraBase Compound ID Kc3I9GBtMay
InChI InChI=1S/C22H20N5O4S.BrH/c1-13-10-15-11-18(30-2)19(31-3)12-17(15)20(14-4-6-16(7-5-14)27(28)29)26(13)21-23-22-25(24-21)8-9-32-22;/h4-7,10-12H,8-9H2,1-3H3;1H/q+1;/p-1
InChIKey FKRQYDPDELQCAE-UHFFFAOYSA-M
Mol Weight 530.4 g/mol
Molecular Formula C22H20BrN5O4S
Exact Mass 529.041938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5nuvzdPjrvz
Name 6,7-DIMETHOXY-3-METHYL-1-(4-NITROPHENYL)-N-(5',6'-DIHYDRO-THIAZOLO-[3,2-B]-[1,2,4]-TRIAZOL-2'-YL)-ISOQUINOLINIUM-BROMIDE
Compound Number 15/3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20BrN5O4S
InChI InChI=1S/C22H20N5O4S.BrH/c1-13-10-15-11-18(30-2)19(31-3)12-17(15)20(14-4-6-16(7-5-14)27(28)29)26(13)21-23-22-25(24-21)8-9-32-22;/h4-7,10-12H,8-9H2,1-3H3;1H/q+1;/p-1
InChIKey FKRQYDPDELQCAE-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 530.396 g/mol
Solvent DMSO-D6
Source File Reference UWMS22952