| SpectraBase Spectrum ID |
77C3YOrSE0d |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(2-methylphenyl)-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 |
413.202465033 u |
| Formula |
C24H31NO3S |
| InChI |
InChI=1S/C24H31NO3S/c1-6-29-12-11-28-23(27)20-16(3)25-18-13-24(4,5)14-19(26)22(18)21(20)17-10-8-7-9-15(17)2/h7-10,21,25H,6,11-14H2,1-5H3 |
| InChIKey |
UXDDOWVTZZIQDC-UHFFFAOYSA-N |
| Molecular Weight |
413.576 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11171 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10251624; Lab Info: SAS; Lab Number: SAS-tst3659 |
