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3,5-bis[(4-methoxybenzyl)sulfanyl]-4-isothiazolecarbonitrile
SpectraBase Compound ID Jo30VitN3aI
InChI InChI=1S/C20H18N2O2S3/c1-23-16-7-3-14(4-8-16)12-25-19-18(11-21)20(27-22-19)26-13-15-5-9-17(24-2)10-6-15/h3-10H,12-13H2,1-2H3
InChIKey SDSBMKYDIOBXAF-UHFFFAOYSA-N
Mol Weight 414.56 g/mol
Molecular Formula C20H18N2O2S3
Exact Mass 414.053041 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5yIDUKDXW7z
Name 3,5-bis[(4-methoxybenzyl)sulfanyl]-4-isothiazolecarbonitrile
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/C20H18N2O2S3/c1-23-16-7-3-14(4-8-16)12-25-19-18(11-21)20(27-22-19)26-13-15-5-9-17(24-2)10-6-15/h3-10H,12-13H2,1-2H3
InChIKey SDSBMKYDIOBXAF-UHFFFAOYSA-N
NMR Offset 16.4447
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_3422
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: TSH/5636733; IOH_ID: IOH-003423
Temperature 297 °C