| SpectraBase Spectrum ID |
7NEuafSdOu0 |
| Name |
3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-6-[[2-[(4-ethoxyphenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-, 1,1-dimethylethyl |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
539.164555328 u |
| Formula |
C28H30ClN3O4S |
| InChI |
InChI=1S/C28H30ClN3O4S/c1-6-35-21-13-11-20(12-14-21)32-23(33)16-37-26-22(15-30)25(18-7-9-19(29)10-8-18)24(17(2)31-26)27(34)36-28(3,4)5/h7-14,25,31H,6,16H2,1-5H3,(H,32,33) |
| InChIKey |
VNEXMQQCIPKABA-UHFFFAOYSA-N |
| Molecular Weight |
540.078 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_4039 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9264789; Lab Info: KR; Lab Number: KR-0000026 |
| Temperature |
29.85 °C |
![3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-6-[[2-[(4-ethoxyphenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-, 1,1-dimethylethyl](/api/spectrum/7NEuafSdOu0/structure.png?h=300&w=458 "3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-6-[[2-[(4-ethoxyphenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-, 1,1-dimethylethyl")
