SpectraBase Spectrum ID |
3SHaPyl0CGA |
Name |
3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-6-[[2-[(2,3-dimethylphenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-, 1,1-dimethylethyl |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
523.169640709 u |
Formula |
C28H30ClN3O3S |
InChI |
InChI=1S/C28H30ClN3O3S/c1-16-8-7-9-22(17(16)2)32-23(33)15-36-26-21(14-30)25(19-10-12-20(29)13-11-19)24(18(3)31-26)27(34)35-28(4,5)6/h7-13,25,31H,15H2,1-6H3,(H,32,33) |
InChIKey |
ZJGCQQZYMRKMJM-UHFFFAOYSA-N |
Molecular Weight |
524.079 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_4037 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9264775; Lab Info: KR; Lab Number: KR-0000012 |
Temperature |
29.85 °C |