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2-[3-[1-[4-(2-METHOXYPHENYL)-PIPERAZINYL]]-PROPYL]-2H-THIENO-[2,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE-MONO-HYDROBROMIDE

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2-[3-[1-[4-(2-METHOXYPHENYL)-PIPERAZINYL]]-PROPYL]-2H-THIENO-[2,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE-MONO-HYDROBROMIDE
SpectraBase Compound ID GN0LkQAS2qW
InChI InChI=1S/C19H24N4O4S2.BrH/c1-27-16-6-3-2-5-15(16)22-12-10-21(11-13-22)8-4-9-23-19(24)20-18-17(7-14-28-18)29(23,25)26;/h2-3,5-7,14H,4,8-13H2,1H3,(H,20,24);1H
InChIKey DXVDFDJABCJVDB-UHFFFAOYSA-N
Mol Weight 517.46 g/mol
Molecular Formula C19H25BrN4O4S2
Exact Mass 516.050061 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BkI8XhdbeqX
Name 2-[3-[1-[4-(2-METHOXYPHENYL)-PIPERAZINYL]]-PROPYL]-2H-THIENO-[2,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE-MONO-HYDROBROMIDE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H25BrN4O4S2
InChI InChI=1S/C19H24N4O4S2.BrH/c1-27-16-6-3-2-5-15(16)22-12-10-21(11-13-22)8-4-9-23-19(24)20-18-17(7-14-28-18)29(23,25)26;/h2-3,5-7,14H,4,8-13H2,1H3,(H,20,24);1H
InChIKey DXVDFDJABCJVDB-UHFFFAOYSA-N
Literature Reference Author S.VEGA,M.E.ARRANZ,V.J.ARAN
Literature Reference Citation J.HETCYCL.CHEM.,42,763(2005)
Literature Reference DOI 10.1002/jhet.5570420504
Molecular Weight 517.456 g/mol
Sample ID 61099
Solvent DMSO-D6