SpectraBase Spectrum ID |
Ckh6kV02hje |
Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(4-hydroxyphenyl)-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 |
387.150429459 u |
Formula |
C21H25NO4S |
InChI |
InChI=1S/C21H25NO4S/c1-3-27-12-11-26-21(25)18-13(2)22-16-5-4-6-17(24)20(16)19(18)14-7-9-15(23)10-8-14/h7-10,19,22-23H,3-6,11-12H2,1-2H3 |
InChIKey |
JYPGJLSMGBCXNI-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_372 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: ZI/8103968; Lab Info: SAS; Lab Number: SAS-0051025 |
Temperature |
29.85 °C |