| SpectraBase Spectrum ID |
FHEmd8R6KWx |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-[4-(methylthio)phenyl]-5-oxo-, 2-methoxyethyl 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 |
387.150429459 u |
| Formula |
C21H25NO4S |
| InChI |
InChI=1S/C21H25NO4S/c1-13-18(21(24)26-12-11-25-2)19(14-7-9-15(27-3)10-8-14)20-16(22-13)5-4-6-17(20)23/h7-10,19,22H,4-6,11-12H2,1-3H3 |
| InChIKey |
GOGIAFWFHZQSDF-UHFFFAOYSA-N |
| Molecular Weight |
387.494 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11181 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10251639; Lab Info: SAS; Lab Number: SAS-tst3675 |
| Temperature |
29.85 °C |
![3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-[4-(methylthio)phenyl]-5-oxo-, 2-methoxyethyl ester](/api/spectrum/FHEmd8R6KWx/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-methoxyethyl ester")
