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 |