| SpectraBase Spectrum ID |
vVHA4jot1U |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(5-methyl-2-thienyl)-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 |
419.158886143 u |
| Formula |
C22H29NO3S2 |
| InChI |
InChI=1S/C22H29NO3S2/c1-6-27-10-9-26-21(25)18-14(3)23-15-11-22(4,5)12-16(24)19(15)20(18)17-8-7-13(2)28-17/h7-8,20,23H,6,9-12H2,1-5H3 |
| InChIKey |
GNDRAOBDUMXYSN-UHFFFAOYSA-N |
| Molecular Weight |
419.598 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_8248 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9254646; Lab Info: SAS; Lab Number: SAS-TST2180 |
| Temperature |
29.85 °C |
