| SpectraBase Spectrum ID |
JYaB0uGbWTk |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-[4-(methylthio)phenyl]-5-oxo-, 1-methylpropyl 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 |
385.171164904 u |
| Formula |
C22H27NO3S |
| InChI |
InChI=1S/C22H27NO3S/c1-5-13(2)26-22(25)19-14(3)23-17-7-6-8-18(24)21(17)20(19)15-9-11-16(27-4)12-10-15/h9-13,20,23H,5-8H2,1-4H3 |
| InChIKey |
FAYAZYOTHWAQFX-UHFFFAOYSA-N |
| Molecular Weight |
385.522 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11178 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10251633; Lab Info: SAS; Lab Number: SAS-tst3668 |
| Temperature |
29.85 °C |
