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3-pyridinecarbonitrile, 2-[[[4-(1,1-dimethylethyl)phenyl]methyl]thio]-4-(4-fluorophenyl)-6-(2-thienyl)-
SpectraBase Compound ID 80mjVdAOinY
InChI InChI=1S/C27H23FN2S2/c1-27(2,3)20-10-6-18(7-11-20)17-32-26-23(16-29)22(19-8-12-21(28)13-9-19)15-24(30-26)25-5-4-14-31-25/h4-15H,17H2,1-3H3
InChIKey MIQDSIDXIBKRGW-UHFFFAOYSA-N
Mol Weight 458.61 g/mol
Molecular Formula C27H23FN2S2
Exact Mass 458.128669 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BHzedyed7Ja
Name 3-pyridinecarbonitrile, 2-[[[4-(1,1-dimethylethyl)phenyl]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/C27H23FN2S2/c1-27(2,3)20-10-6-18(7-11-20)17-32-26-23(16-29)22(19-8-12-21(28)13-9-19)15-24(30-26)25-5-4-14-31-25/h4-15H,17H2,1-3H3
InChIKey MIQDSIDXIBKRGW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_4216
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: 63MVY0.331; IOH_ID: IOH-011219