| SpectraBase Spectrum ID |
Lvp1A1APPby |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-[4-(methylthio)phenyl]-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 |
417.143236078 u |
| Formula |
C22H27NO3S2 |
| InChI |
InChI=1S/C22H27NO3S2/c1-4-28-13-12-26-22(25)19-14(2)23-17-6-5-7-18(24)21(17)20(19)15-8-10-16(27-3)11-9-15/h8-11,20,23H,4-7,12-13H2,1-3H3 |
| InChIKey |
JUYYCDYIYHNPJV-UHFFFAOYSA-N |
| Molecular Weight |
417.582 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_199 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8096795; Lab Info: SAS; Lab Number: SAS-0050059 |
| Temperature |
29.85 °C |
![3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-[4-(methylthio)phenyl]-5-oxo-, 2-(ethylthio)ethyl ester](/api/spectrum/Lvp1A1APPby/structure.png?h=300&w=458 "3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-[4-(methylthio)phenyl]-5-oxo-, 2-(ethylthio)ethyl ester")
