| SpectraBase Spectrum ID |
BQ8c0ALPqNO |
| Name |
3-pyridinecarboxylic acid, 5-cyano-1,2,3,4-tetrahydro-4-(2-methylphenyl)-6-[[2-[(2-methylphenyl)amino]-2-oxoethyl]thio]-2-oxo-, methyl |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
449.140927403 u |
| Formula |
C24H23N3O4S |
| InChI |
InChI=1S/C24H23N3O4S/c1-14-8-4-6-10-16(14)20-17(12-25)23(27-22(29)21(20)24(30)31-3)32-13-19(28)26-18-11-7-5-9-15(18)2/h4-11,20-21H,13H2,1-3H3,(H,26,28)(H,27,29) |
| InChIKey |
MRMLVLHGHBGMBM-UHFFFAOYSA-N |
| Molecular Weight |
449.525 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6395 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9264804; Lab Info: KR; Lab Number: KR-0000041 |
![3-pyridinecarboxylic acid, 5-cyano-1,2,3,4-tetrahydro-4-(2-methylphenyl)-6-[[2-[(2-methylphenyl)amino]-2-oxoethyl]thio]-2-oxo-, methyl](/api/spectrum/BQ8c0ALPqNO/structure.png?h=300&w=458 "3-pyridinecarboxylic acid, 5-cyano-1,2,3,4-tetrahydro-4-(2-methylphenyl)-6-[[2-[(2-methylphenyl)amino]-2-oxoethyl]thio]-2-oxo-, methyl")
