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(2'R,3'R,4'S)-5'-cyano-2'-hydroxy-2,2'-dimethyl-4'-phenyl-1',2',3',4'-tetrahydro-[1,3'-bipyridin]-1-ium-6'-thiolate
SpectraBase Compound ID Jin1fVRYGAJ
InChI InChI=1S/C19H19N3OS/c1-13-8-6-7-11-22(13)17-16(14-9-4-3-5-10-14)15(12-20)18(24)21-19(17,2)23/h3-11,16-17,21,23H,1-2H3
InChIKey QRROWCPRGRAQMY-UHFFFAOYSA-N
Mol Weight 337.44 g/mol
Molecular Formula C19H19N3OS
Exact Mass 337.124883 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4lMYk3cdmMd
Name (2'R,3'R,4'S)-5'-cyano-2'-hydroxy-2,2'-dimethyl-4'-phenyl-1',2',3',4'-tetrahydro-[1,3'-bipyridin]-1-ium-6'-thiolate
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/C19H19N3OS/c1-13-8-6-7-11-22(13)17-16(14-9-4-3-5-10-14)15(12-20)18(24)21-19(17,2)23/h3-11,16-17,21,23H,1-2H3
InChIKey QRROWCPRGRAQMY-UHFFFAOYSA-N
NMR Offset 13.9821
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_3878
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/5122693; Labnumber: TSH-4288; IOH_ID: IOH-010881
Temperature 297 °C