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2-[4-[1-[4-(2-METHOXYPHENYL)-PIPERAZINYL]]-BUTYL]-2H-THIENO-[3,4-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE
SpectraBase Compound ID G1HVMtxuR6r
InChI InChI=1S/C20H26N4O4S2/c1-28-18-7-3-2-6-17(18)23-12-10-22(11-13-23)8-4-5-9-24-20(25)21-16-14-29-15-19(16)30(24,26)27/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,21,25)
InChIKey FCYGZKSIKSBFMU-UHFFFAOYSA-N
Mol Weight 450.57 g/mol
Molecular Formula C20H26N4O4S2
Exact Mass 450.139548 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J4BkYeDQ6HU
Name 2-[4-[1-[4-(2-METHOXYPHENYL)-PIPERAZINYL]]-BUTYL]-2H-THIENO-[3,4-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26N4O4S2
InChI InChI=1S/C20H26N4O4S2/c1-28-18-7-3-2-6-17(18)23-12-10-22(11-13-23)8-4-5-9-24-20(25)21-16-14-29-15-19(16)30(24,26)27/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,21,25)
InChIKey FCYGZKSIKSBFMU-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 450.571 g/mol
Sample ID 61095
Solvent DMSO-D6