| SpectraBase Spectrum ID |
60cMer3YB26 |
| Name |
3-pyridinecarboxamide, 6-[[2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,4-dihydro-2-methyl-N-(2-methylphenyl)-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 |
548.110746107 u |
| Formula |
C28H25ClN4O2S2 |
| InChI |
InChI=1S/C28H25ClN4O2S2/c1-16-10-11-19(13-21(16)29)32-24(34)15-37-28-20(14-30)26(23-9-6-12-36-23)25(18(3)31-28)27(35)33-22-8-5-4-7-17(22)2/h4-13,26,31H,15H2,1-3H3,(H,32,34)(H,33,35) |
| InChIKey |
AHOJGPCONPPLMQ-UHFFFAOYSA-N |
| Molecular Weight |
549.107 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6058 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10211929; Lab Info: KR; Lab Number: KR-KSG1G40 |
| Temperature |
23.85 °C |
![3-pyridinecarboxamide, 6-[[2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,4-dihydro-2-methyl-N-(2-methylphenyl)-4-(2-thienyl)-](/api/spectrum/60cMer3YB26/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-(2-methylphenyl)-4-(2-thienyl)-")
