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2-[3-[1-[4-(4-FLUOROPHENYL)-PIPERAZINYL]]-PROPYL]-6-METHYL-4,6-DIHYDROPYRAZOLO-[4,3-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]-6-METHYL-4,6-DIHYDROPYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE-MONO-HYDROBROMIDE
SpectraBase Compound ID B7gpjKMMrMl
InChI InChI=1S/2C18H23FN6O3S.2BrH/c2*1-22-13-16-17(21-22)29(27,28)25(18(26)20-16)8-2-7-23-9-11-24(12-10-23)15-5-3-14(19)4-6-15;;/h2*3-6,13H,2,7-12H2,1H3,(H,20,26);2*1H
InChIKey RUVLYDWJNMSZDY-UHFFFAOYSA-N
Mol Weight 1006.78 g/mol
Molecular Formula C36H48Br2F2N12O6S2
Exact Mass 1004.159602 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LhllVxF4ClB
Name 2-[3-[1-[4-(4-FLUOROPHENYL)-PIPERAZINYL]]-PROPYL]-6-METHYL-4,6-DIHYDROPYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE-MONO-HYDROBROMIDE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H48Br2F2N12O6S2
InChI InChI=1S/2C18H23FN6O3S.2BrH/c2*1-22-13-16-17(21-22)29(27,28)25(18(26)20-16)8-2-7-23-9-11-24(12-10-23)15-5-3-14(19)4-6-15;;/h2*3-6,13H,2,7-12H2,1H3,(H,20,26);2*1H
InChIKey RUVLYDWJNMSZDY-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 1006.779 g/mol
Sample ID 61108
Solvent CDCl3