| SpectraBase Spectrum ID |
AntUkuXSbAB |
| Name |
3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-6-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-5-cyano-1,4-dihydro-2-methyl-, 1,1-dimethylethyl ester |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
514.088469212 u |
| Formula |
C26H24Cl2N2O3S |
| InChI |
InChI=1S/C26H24Cl2N2O3S/c1-15-22(25(32)33-26(2,3)4)23(17-7-11-19(28)12-8-17)20(13-29)24(30-15)34-14-21(31)16-5-9-18(27)10-6-16/h5-12,23,30H,14H2,1-4H3 |
| InChIKey |
IXLZEMGILUMLGZ-UHFFFAOYSA-N |
| Molecular Weight |
515.455 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_10515 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10251770; Lab Info: KR; Lab Number: KR-KK00032 |
![3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-6-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-5-cyano-1,4-dihydro-2-methyl-, 1,1-dimethylethyl ester](/api/spectrum/AntUkuXSbAB/structure.png?h=300&w=458 "3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-6-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-5-cyano-1,4-dihydro-2-methyl-, 1,1-dimethylethyl ester")
