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

View entire compound with spectra: 1 NMR

2-[3-[1-[4-(4-FLUOROPHENYL)-PIPERAZINYL]]-PROPYL]-2H-THIENO-[2,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE-MONO-HYDROBROMIDE
SpectraBase Compound ID JsdR8Lam2hE
InChI InChI=1S/2C18H21FN4O3S2.2BrH/c2*19-14-2-4-15(5-3-14)22-11-9-21(10-12-22)7-1-8-23-18(24)20-17-16(6-13-27-17)28(23,25)26;;/h2*2-6,13H,1,7-12H2,(H,20,24);2*1H
InChIKey MYWOUKLUBLTWIW-UHFFFAOYSA-N
Mol Weight 1010.84 g/mol
Molecular Formula C36H44Br2F2N8O6S4
Exact Mass 1008.060148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1POWr06ln0i
Name 2-[3-[1-[4-(4-FLUOROPHENYL)-PIPERAZINYL]]-PROPYL]-2H-THIENO-[2,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE-MONO-HYDROBROMIDE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H44Br2F2N8O6S4
InChI InChI=1S/2C18H21FN4O3S2.2BrH/c2*19-14-2-4-15(5-3-14)22-11-9-21(10-12-22)7-1-8-23-18(24)20-17-16(6-13-27-17)28(23,25)26;;/h2*2-6,13H,1,7-12H2,(H,20,24);2*1H
InChIKey MYWOUKLUBLTWIW-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 1010.840 g/mol
Sample ID 61098
Solvent DMSO-D6