| SpectraBase Spectrum ID |
GwXWOC0d0rQ |
| Name |
3-pyridinecarboxylic acid, 6-[[2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl]thio]-4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-, 1,1- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
543.115018312 u |
| Formula |
C27H27Cl2N3O3S |
| InChI |
InChI=1S/C27H27Cl2N3O3S/c1-15-6-11-19(12-21(15)29)32-22(33)14-36-25-20(13-30)24(17-7-9-18(28)10-8-17)23(16(2)31-25)26(34)35-27(3,4)5/h6-12,24,31H,14H2,1-5H3,(H,32,33) |
| InChIKey |
YNBFZIDAXCUXSZ-UHFFFAOYSA-N |
| Molecular Weight |
544.497 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_4034 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9264766; Lab Info: KR; Lab Number: KR-0000003 |
| Temperature |
29.85 °C |
![3-pyridinecarboxylic acid, 6-[[2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl]thio]-4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-, 1,1-](/api/spectrum/GwXWOC0d0rQ/structure.png?h=300&w=458 "3-pyridinecarboxylic acid, 6-[[2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl]thio]-4-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-, 1,1-")
