| SpectraBase Spectrum ID |
3fKa0MgML18 |
| Name |
3-quinolinecarboxylic acid, 4-(4-ethoxy-3-methoxyphenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, propyl 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 |
427.235873162 u |
| Formula |
C25H33NO5 |
| InChI |
InChI=1S/C25H33NO5/c1-7-11-31-24(28)21-15(3)26-17-13-25(4,5)14-18(27)23(17)22(21)16-9-10-19(30-8-2)20(12-16)29-6/h9-10,12,22,26H,7-8,11,13-14H2,1-6H3 |
| InChIKey |
JXHJYWNFJCNSKN-UHFFFAOYSA-N |
| Molecular Weight |
427.541 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6779 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10220422; Lab Info: SAS; Lab Number: SAS-tst3418 |
