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3-isothiazolidinone, 2-[4-methoxy-3-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]-4-methyl-, 1,1-dioxide
SpectraBase Compound ID ECOJDDjtMKZ
InChI InChI=1S/C21H25N3O6S2/c1-16-15-31(26,27)24(21(16)25)18-8-9-19(30-2)20(14-18)32(28,29)23-12-10-22(11-13-23)17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3
InChIKey GHTJBMIKORIDTJ-UHFFFAOYSA-N
Mol Weight 479.57 g/mol
Molecular Formula C21H25N3O6S2
Exact Mass 479.118478 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HfN2O8Q4fvf
Name 3-isothiazolidinone, 2-[4-methoxy-3-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl]-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/C21H25N3O6S2/c1-16-15-31(26,27)24(21(16)25)18-8-9-19(30-2)20(14-18)32(28,29)23-12-10-22(11-13-23)17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3
InChIKey GHTJBMIKORIDTJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_8851
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: F33735; Labnumber: CHEKAN-00513