| SpectraBase Spectrum ID |
3E8wbdhcVJw |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(3-thienyl)-, (4-methoxyphenyl)methyl 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 |
437.166079523 u |
| Formula |
C25H27NO4S |
| InChI |
InChI=1S/C25H27NO4S/c1-15-21(24(28)30-13-16-5-7-18(29-4)8-6-16)22(17-9-10-31-14-17)23-19(26-15)11-25(2,3)12-20(23)27/h5-10,14,22,26H,11-13H2,1-4H3 |
| InChIKey |
PVQUMWOXIGBNQT-UHFFFAOYSA-N |
| Molecular Weight |
437.554 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_9308 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10240425; Lab Info: SAS; Lab Number: SAS-tst3612 |
| Temperature |
23.85 °C |
