SpectraBase Spectrum ID |
AkS05hHIRpK |
Name |
ethyl 6-[(2-anilino-2-oxoethyl)sulfanyl]-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydro-3-pyridinecarboxylate |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
529.122690516 u |
Formula |
C29H24ClN3O3S |
InChI |
InChI=1S/C29H24ClN3O3S/c1-2-36-29(35)26-25(21-15-9-10-16-23(21)30)22(17-31)28(33-27(26)19-11-5-3-6-12-19)37-18-24(34)32-20-13-7-4-8-14-20/h3-16,25,33H,2,18H2,1H3,(H,32,34) |
InChIKey |
NRQAAYAVYJNHEA-UHFFFAOYSA-N |
Molecular Weight |
530.042 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2020_1690 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12278270 |