| SpectraBase Spectrum ID |
KqjUBi6qWij |
| Name |
3-pyridinecarboxamide, 6-[[2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,4-dihydro-2-methyl-N-phenyl-4-(2-thienyl)- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
534.095096043 u |
| Formula |
C27H23ClN4O2S2 |
| InChI |
InChI=1S/C27H23ClN4O2S2/c1-16-10-11-19(13-21(16)28)31-23(33)15-36-27-20(14-29)25(22-9-6-12-35-22)24(17(2)30-27)26(34)32-18-7-4-3-5-8-18/h3-13,25,30H,15H2,1-2H3,(H,31,33)(H,32,34) |
| InChIKey |
NPCRNGLFDVHFCR-UHFFFAOYSA-N |
| Molecular Weight |
535.080 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6061 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10211934; Lab Info: KR; Lab Number: KR-KSG1G45 |
| Temperature |
23.85 °C |
![3-pyridinecarboxamide, 6-[[2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,4-dihydro-2-methyl-N-phenyl-4-(2-thienyl)-](/api/spectrum/KqjUBi6qWij/structure.png?h=300&w=458 "3-pyridinecarboxamide, 6-[[2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,4-dihydro-2-methyl-N-phenyl-4-(2-thienyl)-")
