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3-pyridinecarbonitrile, 2-[[2-hydroxy-3-(octylsulfonyl)propyl]thio]-6-(2-thienyl)-4-(trifluoromethyl)-
SpectraBase Compound ID BQ69KYydHyl
InChI InChI=1S/C22H27F3N2O3S3/c1-2-3-4-5-6-7-11-33(29,30)15-16(28)14-32-21-17(13-26)18(22(23,24)25)12-19(27-21)20-9-8-10-31-20/h8-10,12,16,28H,2-7,11,14-15H2,1H3
InChIKey GJLGKJIVFRIBEN-UHFFFAOYSA-N
Mol Weight 520.64 g/mol
Molecular Formula C22H27F3N2O3S3
Exact Mass 520.113591 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1WREDcgp9f9
Name 3-pyridinecarbonitrile, 2-[[2-hydroxy-3-(octylsulfonyl)propyl]thio]-6-(2-thienyl)-4-(trifluoromethyl)-
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/C22H27F3N2O3S3/c1-2-3-4-5-6-7-11-33(29,30)15-16(28)14-32-21-17(13-26)18(22(23,24)25)12-19(27-21)20-9-8-10-31-20/h8-10,12,16,28H,2-7,11,14-15H2,1H3
InChIKey GJLGKJIVFRIBEN-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_3215
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: ZI/6020162; Labnumber: TSH-5167; IOH_ID: IOH-010218