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2-[3-[1-(4-PHENYLPIPERAZINYL)]-PROPYL]-2H-THIENO-[2,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE-MONO-HYDROBROMIDE
SpectraBase Compound ID 8OPQWHMjhZC
InChI InChI=1S/C18H22N4O3S2.BrH/c23-18-19-17-16(7-14-26-17)27(24,25)22(18)9-4-8-20-10-12-21(13-11-20)15-5-2-1-3-6-15;/h1-3,5-7,14H,4,8-13H2,(H,19,23);1H
InChIKey DBXODIBDKDGTGD-UHFFFAOYSA-N
Mol Weight 487.43 g/mol
Molecular Formula C18H23BrN4O3S2
Exact Mass 486.039496 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BrckOAZzyZF
Name 2-[3-[1-(4-PHENYLPIPERAZINYL)]-PROPYL]-2H-THIENO-[2,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE-MONO-HYDROBROMIDE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H23BrN4O3S2
InChI InChI=1S/C18H22N4O3S2.BrH/c23-18-19-17-16(7-14-26-17)27(24,25)22(18)9-4-8-20-10-12-21(13-11-20)15-5-2-1-3-6-15;/h1-3,5-7,14H,4,8-13H2,(H,19,23);1H
InChIKey DBXODIBDKDGTGD-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 487.430 g/mol
Sample ID 61097
Solvent DMSO-D6