| SpectraBase Spectrum ID |
3ZRUcJk2OqC |
| Name |
3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-6-(ethylthio)-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 |
390.116876861 u |
| Formula |
C20H23ClN2O2S |
| InChI |
InChI=1S/C20H23ClN2O2S/c1-6-26-18-15(11-22)17(13-7-9-14(21)10-8-13)16(12(2)23-18)19(24)25-20(3,4)5/h7-10,17,23H,6H2,1-5H3 |
| InChIKey |
HTBIWHGQMIRGGY-UHFFFAOYSA-N |
| Molecular Weight |
390.929 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_4019 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9253163; Lab Info: KR; Lab Number: KR-0000015 |
| Temperature |
29.85 °C |
