| SpectraBase Spectrum ID |
8WYKcqHZmCR |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(2-thienyl)-, 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 |
405.143236078 u |
| Formula |
C21H27NO3S2 |
| InChI |
InChI=1S/C21H27NO3S2/c1-5-26-10-8-25-20(24)17-13(2)22-14-11-21(3,4)12-15(23)18(14)19(17)16-7-6-9-27-16/h6-7,9,19,22H,5,8,10-12H2,1-4H3 |
| InChIKey |
QHWBLCIELJNWTB-UHFFFAOYSA-N |
| Molecular Weight |
405.571 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11212 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10251697; Lab Info: SAS; Lab Number: SAS-tst3737 |
| Temperature |
29.85 °C |
