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6-METHYL-2-[3-[1-[4-(2-METHOXYPHENYL)-PIPERAZINYL]]-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-(2-METHOXYPHENYL)-PIPERAZINYL]]-PROPYL]-4,6-DIHYDROPYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE-MONO-HYDROBROMIDE
SpectraBase Compound ID 9t1btunFqtB
InChI InChI=1S/C19H26N6O4S.BrH/c1-22-14-15-18(21-22)30(27,28)25(19(26)20-15)9-5-8-23-10-12-24(13-11-23)16-6-3-4-7-17(16)29-2;/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,20,26);1H
InChIKey RGFDKKMOTKKNGQ-UHFFFAOYSA-N
Mol Weight 515.43 g/mol
Molecular Formula C19H27BrN6O4S
Exact Mass 514.099788 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5RdSr3Rz8FN
Name 6-METHYL-2-[3-[1-[4-(2-METHOXYPHENYL)-PIPERAZINYL]]-PROPYL]-4,6-DIHYDROPYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE-MONO-HYDROBROMIDE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H27BrN6O4S
InChI InChI=1S/C19H26N6O4S.BrH/c1-22-14-15-18(21-22)30(27,28)25(19(26)20-15)9-5-8-23-10-12-24(13-11-23)16-6-3-4-7-17(16)29-2;/h3-4,6-7,14H,5,8-13H2,1-2H3,(H,20,26);1H
InChIKey RGFDKKMOTKKNGQ-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 515.425 g/mol
Sample ID 61109
Solvent CDCl3