SpectraBase Spectrum ID |
EChmO4niYN4 |
Name |
3-pyridinecarboxylic acid, 6-[[2-[(4-acetylphenyl)amino]-2-oxoethyl]thio]-4-(2-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-, methyl ester |
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/C25H22ClN3O4S/c1-14-22(25(32)33-3)23(18-6-4-5-7-20(18)26)19(12-27)24(28-14)34-13-21(31)29-17-10-8-16(9-11-17)15(2)30/h4-11,23,28H,13H2,1-3H3,(H,29,31) |
InChIKey |
AQKHVSBPPCAXAN-UHFFFAOYSA-N |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Origin |
1H_CB_3517_2188 |
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: NMR/11238476 |