| SpectraBase Spectrum ID |
K9E41ylgD1M |
| Name |
3-quinolinecarboxylic acid, 4-(3,4-dichlorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-(ethylthio)ethyl 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 |
439.077570176 u |
| Formula |
C21H23Cl2NO3S |
| InChI |
InChI=1S/C21H23Cl2NO3S/c1-3-28-10-9-27-21(26)18-12(2)24-16-5-4-6-17(25)20(16)19(18)13-7-8-14(22)15(23)11-13/h7-8,11,19,24H,3-6,9-10H2,1-2H3 |
| InChIKey |
QITBWJCJYYXBIR-UHFFFAOYSA-N |
| Molecular Weight |
440.385 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_865 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8101947; Lab Info: SAS; Lab Number: SAS-0050968 |
