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6-METHYL-2-[4-[1-[4-(2-METHOXYPHENYL)-PIPERAZINYL]]-BUTYL]-4,6-DIHYDROPYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE

View entire compound with spectra: 1 NMR

6-METHYL-2-[4-[1-[4-(2-METHOXYPHENYL)-PIPERAZINYL]]-BUTYL]-4,6-DIHYDROPYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE
SpectraBase Compound ID 8mHZ2Z0uSEH
InChI InChI=1S/C20H28N6O4S/c1-23-15-16-19(22-23)31(28,29)26(20(27)21-16)10-6-5-9-24-11-13-25(14-12-24)17-7-3-4-8-18(17)30-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3,(H,21,27)
InChIKey QXDMWPAQHVNSFF-UHFFFAOYSA-N
Mol Weight 448.54 g/mol
Molecular Formula C20H28N6O4S
Exact Mass 448.189275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CUaaw8XaNxL
Name 6-METHYL-2-[4-[1-[4-(2-METHOXYPHENYL)-PIPERAZINYL]]-BUTYL]-4,6-DIHYDROPYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE
Compound Number 4H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28N6O4S
InChI InChI=1S/C20H28N6O4S/c1-23-15-16-19(22-23)31(28,29)26(20(27)21-16)10-6-5-9-24-11-13-25(14-12-24)17-7-3-4-8-18(17)30-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3,(H,21,27)
InChIKey QXDMWPAQHVNSFF-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 448.540 g/mol
Sample ID 61114
Solvent CDCl3