| SpectraBase Spectrum ID |
4Sa21LWY19R |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-[4-(methylthio)phenyl]-5-oxo-, propyl 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 |
399.186814969 u |
| Formula |
C23H29NO3S |
| InChI |
InChI=1S/C23H29NO3S/c1-6-11-27-22(26)19-14(2)24-17-12-23(3,4)13-18(25)21(17)20(19)15-7-9-16(28-5)10-8-15/h7-10,20,24H,6,11-13H2,1-5H3 |
| InChIKey |
DRLDLYOHRSOLIR-UHFFFAOYSA-N |
| Molecular Weight |
399.549 g/mol |
| NMR Offset |
16.1752 |
| NMR Spectrometer Frequency |
200.133 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_7996 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9234117; Lab Info: SAS; Lab Number: SAS-TST0937 |
| Temperature |
39.85 °C |
![3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-[4-(methylthio)phenyl]-5-oxo-, propyl ester](/api/spectrum/4Sa21LWY19R/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-, propyl ester")
