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6-METHYL-2-[3-[1-(4-PHENYLPIPERAZINYL)]-PROPYL]-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

6-METHYL-2-[3-[1-(4-PHENYLPIPERAZINYL)]-PROPYL]-4,6-DIHYDROPYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE-MONO-HYDROBROMIDE
SpectraBase Compound ID 1c90Q4lPMTg
InChI InChI=1S/C18H24N6O3S.BrH/c1-21-14-16-17(20-21)28(26,27)24(18(25)19-16)9-5-8-22-10-12-23(13-11-22)15-6-3-2-4-7-15;/h2-4,6-7,14H,5,8-13H2,1H3,(H,19,25);1H
InChIKey VKLPDWGDDZLMQC-UHFFFAOYSA-N
Mol Weight 485.4 g/mol
Molecular Formula C18H25BrN6O3S
Exact Mass 484.089223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DKUK9LlmwoN
Name 6-METHYL-2-[3-[1-(4-PHENYLPIPERAZINYL)]-PROPYL]-4,6-DIHYDROPYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE-MONO-HYDROBROMIDE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H25BrN6O3S
InChI InChI=1S/C18H24N6O3S.BrH/c1-21-14-16-17(20-21)28(26,27)24(18(25)19-16)9-5-8-22-10-12-23(13-11-22)15-6-3-2-4-7-15;/h2-4,6-7,14H,5,8-13H2,1H3,(H,19,25);1H
InChIKey VKLPDWGDDZLMQC-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 485.399 g/mol
Sample ID 61107
Solvent CDCl3