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3-isothiazolidinone, 2-[4-[[4-(2-methoxyphenyl)-1-piperazinyl]sulfonyl]-3-methylphenyl]-4-methyl-, 1,1-dioxide
SpectraBase Compound ID DNt4mr82Hty
InChI InChI=1S/C22H27N3O6S2/c1-16-14-18(25-22(26)17(2)15-32(25,27)28)8-9-21(16)33(29,30)24-12-10-23(11-13-24)19-6-4-5-7-20(19)31-3/h4-9,14,17H,10-13,15H2,1-3H3
InChIKey QVESKAXKSWVIKC-UHFFFAOYSA-N
Mol Weight 493.59 g/mol
Molecular Formula C22H27N3O6S2
Exact Mass 493.134128 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A5ktrPLo7eJ
Name 3-isothiazolidinone, 2-[4-[[4-(2-methoxyphenyl)-1-piperazinyl]sulfonyl]-3-methylphenyl]-4-methyl-, 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/C22H27N3O6S2/c1-16-14-18(25-22(26)17(2)15-32(25,27)28)8-9-21(16)33(29,30)24-12-10-23(11-13-24)19-6-4-5-7-20(19)31-3/h4-9,14,17H,10-13,15H2,1-3H3
InChIKey QVESKAXKSWVIKC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10382
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: F37642; Labnumber: CHEKAN-00221
Temperature 315 °C