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3-isothiazolidinone, 2-[4-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]phenyl]-4,4-dimethyl-, 1,1-dioxide

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3-isothiazolidinone, 2-[4-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]phenyl]-4,4-dimethyl-, 1,1-dioxide
SpectraBase Compound ID 8jswbnMM8t0
InChI InChI=1S/C21H24FN3O5S2/c1-21(2)15-31(27,28)25(20(21)26)16-7-9-17(10-8-16)32(29,30)24-13-11-23(12-14-24)19-6-4-3-5-18(19)22/h3-10H,11-15H2,1-2H3
InChIKey MVDKWSJLSJMZKK-UHFFFAOYSA-N
Mol Weight 481.56 g/mol
Molecular Formula C21H24FN3O5S2
Exact Mass 481.114141 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JVfWfyKCluE
Name 3-isothiazolidinone, 2-[4-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]phenyl]-4,4-dimethyl-, 1,1-dioxide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H24FN3O5S2/c1-21(2)15-31(27,28)25(20(21)26)16-7-9-17(10-8-16)32(29,30)24-13-11-23(12-14-24)19-6-4-3-5-18(19)22/h3-10H,11-15H2,1-2H3
InChIKey MVDKWSJLSJMZKK-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_8756
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: F33612; Labnumber: CHEKAN-00063