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

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3-isothiazolidinone, 4,4-dimethyl-2-[4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-, 1,1-dioxide
SpectraBase Compound ID JcmwLvd9VLa
InChI InChI=1S/C22H27N3O5S2/c1-22(2)17-31(27,28)25(21(22)26)19-8-10-20(11-9-19)32(29,30)24-14-12-23(13-15-24)16-18-6-4-3-5-7-18/h3-11H,12-17H2,1-2H3
InChIKey ILUMSERGRLRTCM-UHFFFAOYSA-N
Mol Weight 477.59 g/mol
Molecular Formula C22H27N3O5S2
Exact Mass 477.139213 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BGLos4r7Oo8
Name 3-isothiazolidinone, 4,4-dimethyl-2-[4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-, 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/C22H27N3O5S2/c1-22(2)17-31(27,28)25(21(22)26)19-8-10-20(11-9-19)32(29,30)24-14-12-23(13-15-24)16-18-6-4-3-5-7-18/h3-11H,12-17H2,1-2H3
InChIKey ILUMSERGRLRTCM-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_8745
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: F33600; Labnumber: CHEKAN-00041