| SpectraBase Spectrum ID |
IleP2EfxVwd |
| Name |
3-quinolinecarboxylic acid, 4-(4-ethylphenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-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 |
427.218115098 u |
| Formula |
C25H33NO3S |
| InChI |
InChI=1S/C25H33NO3S/c1-6-17-8-10-18(11-9-17)22-21(24(28)29-12-13-30-7-2)16(3)26-19-14-25(4,5)15-20(27)23(19)22/h8-11,22,26H,6-7,12-15H2,1-5H3 |
| InChIKey |
RTTVSPBXTUERDY-UHFFFAOYSA-N |
| Molecular Weight |
427.603 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_870 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8104237; Lab Info: SAS; Lab Number: SAS-0051070 |
