| SpectraBase Spectrum ID |
KaswzBOiIUx |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-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 |
415.181729588 u |
| Formula |
C23H29NO4S |
| InChI |
InChI=1S/C23H29NO4S/c1-14-19(22(26)28-11-10-27-4)20(15-6-8-16(29-5)9-7-15)21-17(24-14)12-23(2,3)13-18(21)25/h6-9,20,24H,10-13H2,1-5H3 |
| InChIKey |
OLZWTOPRHIZAJP-UHFFFAOYSA-N |
| Molecular Weight |
415.548 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_2561 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9223195; Lab Info: SAS; Lab Number: SAS-TST0683 |
| Temperature |
29.85 °C |
![3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-[4-(methylthio)phenyl]-5-oxo-, 2-methoxyethyl ester](/api/spectrum/KaswzBOiIUx/structure.png?h=300&w=458 "3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-[4-(methylthio)phenyl]-5-oxo-, 2-methoxyethyl ester")
