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2-[4-[1-[4-(4-FLUOROPHENYL)-PIPERAZINYL]]-BUTYL]-2H-THIENO-[2,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE
SpectraBase Compound ID 4lx87XZox0K
InChI InChI=1S/2C19H23FN4O3S2/c2*20-15-3-5-16(6-4-15)23-12-10-22(11-13-23)8-1-2-9-24-19(25)21-18-17(7-14-28-18)29(24,26)27/h2*3-7,14H,1-2,8-13H2,(H,21,25)
InChIKey TXAUHBACTQHENS-UHFFFAOYSA-N
Mol Weight 877.07 g/mol
Molecular Formula C38H46F2N8O6S4
Exact Mass 876.239122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3u6QE1U2q8e
Name 2-[4-[1-[4-(4-FLUOROPHENYL)-PIPERAZINYL]]-BUTYL]-2H-THIENO-[2,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE
Compound Number 3G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H46F2N8O6S4
InChI InChI=1S/2C19H23FN4O3S2/c2*20-15-3-5-16(6-4-15)23-12-10-22(11-13-23)8-1-2-9-24-19(25)21-18-17(7-14-28-18)29(24,26)27/h2*3-7,14H,1-2,8-13H2,(H,21,25)
InChIKey TXAUHBACTQHENS-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 877.070 g/mol
Sample ID 61103
Solvent DMSO-D6