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3,5-bis[(4-fluorobenzyl)sulfanyl]-4-isothiazolecarbonitrile

View entire compound with spectra: 1 NMR

3,5-bis[(4-fluorobenzyl)sulfanyl]-4-isothiazolecarbonitrile
SpectraBase Compound ID JwOCUrbRQpH
InChI InChI=1S/C18H12F2N2S3/c19-14-5-1-12(2-6-14)10-23-17-16(9-21)18(25-22-17)24-11-13-3-7-15(20)8-4-13/h1-8H,10-11H2
InChIKey FRGZYJPUULSSCZ-UHFFFAOYSA-N
Mol Weight 390.48 g/mol
Molecular Formula C18H12F2N2S3
Exact Mass 390.013068 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 859XY522Dmt
Name 3,5-bis[(4-fluorobenzyl)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/C18H12F2N2S3/c19-14-5-1-12(2-6-14)10-23-17-16(9-21)18(25-22-17)24-11-13-3-7-15(20)8-4-13/h1-8H,10-11H2
InChIKey FRGZYJPUULSSCZ-UHFFFAOYSA-N
NMR Offset 16.4447
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_3428
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/5636711; IOH_ID: IOH-003429
Temperature 297 °C