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3,5-bis{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile

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3,5-bis{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile
SpectraBase Compound ID Eg5Ai5oTn44
InChI InChI=1S/C24H22N2O6S3/c1-29-19-7-5-14(9-21(19)31-3)17(27)12-33-23-16(11-25)24(35-26-23)34-13-18(28)15-6-8-20(30-2)22(10-15)32-4/h5-10H,12-13H2,1-4H3
InChIKey QMKMWMDDRCJBQT-UHFFFAOYSA-N
Mol Weight 530.63 g/mol
Molecular Formula C24H22N2O6S3
Exact Mass 530.064 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lo2JokBP8JZ
Name 3,5-bis{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]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/C24H22N2O6S3/c1-29-19-7-5-14(9-21(19)31-3)17(27)12-33-23-16(11-25)24(35-26-23)34-13-18(28)15-6-8-20(30-2)22(10-15)32-4/h5-10H,12-13H2,1-4H3
InChIKey QMKMWMDDRCJBQT-UHFFFAOYSA-N
NMR Offset 16.4447
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_3427
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/5636709; IOH_ID: IOH-003428
Temperature 297 °C