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3-pyridinecarbonitrile, 2-[[(2-chloro-6-fluorophenyl)methyl]thio]-4-(4-fluorophenyl)-6-(2-thienyl)-
SpectraBase Compound ID BoS5mvj5El7
InChI InChI=1S/C23H13ClF2N2S2/c24-19-3-1-4-20(26)18(19)13-30-23-17(12-27)16(14-6-8-15(25)9-7-14)11-21(28-23)22-5-2-10-29-22/h1-11H,13H2
InChIKey QKQBTEMDUZXMQA-UHFFFAOYSA-N
Mol Weight 454.94 g/mol
Molecular Formula C23H13ClF2N2S2
Exact Mass 454.017675 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5EJeQML5SbY
Name 3-pyridinecarbonitrile, 2-[[(2-chloro-6-fluorophenyl)methyl]thio]-4-(4-fluorophenyl)-6-(2-thienyl)-
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/C23H13ClF2N2S2/c24-19-3-1-4-20(26)18(19)13-30-23-17(12-27)16(14-6-8-15(25)9-7-14)11-21(28-23)22-5-2-10-29-22/h1-11H,13H2
InChIKey QKQBTEMDUZXMQA-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_8516_659
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: 63TSH0.089; IOH_ID: IOH-007660