For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

2-[4-[1-[4-(4-FLUOROPHENYL)-PIPERAZINYL]]-BUTYL]-6-METHYL-4,6-DIHYDROPYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE
SpectraBase Compound ID 6p6x0QEyFfx
InChI InChI=1S/2C19H25FN6O3S/c2*1-23-14-17-18(22-23)30(28,29)26(19(27)21-17)9-3-2-8-24-10-12-25(13-11-24)16-6-4-15(20)5-7-16/h2*4-7,14H,2-3,8-13H2,1H3,(H,21,27)
InChIKey UVYMSPDBUCDZEK-UHFFFAOYSA-N
Mol Weight 873.01 g/mol
Molecular Formula C38H50F2N12O6S2
Exact Mass 872.338576 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KfYer6rpm9d
Name 2-[4-[1-[4-(4-FLUOROPHENYL)-PIPERAZINYL]]-BUTYL]-6-METHYL-4,6-DIHYDROPYRAZOLO-[4,3-E]-[1,2,4]-THIADIAZIN-3(4H)-ONE-1,1-DIOXIDE
Compound Number 4G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H50F2N12O6S2
InChI InChI=1S/2C19H25FN6O3S/c2*1-23-14-17-18(22-23)30(28,29)26(19(27)21-17)9-3-2-8-24-10-12-25(13-11-24)16-6-4-15(20)5-7-16/h2*4-7,14H,2-3,8-13H2,1H3,(H,21,27)
InChIKey UVYMSPDBUCDZEK-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 873.009 g/mol
Sample ID 61113
Solvent CDCl3