| SpectraBase Spectrum ID |
80vcSWfx5VX |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-, 2-methylpropyl 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 |
407.170828123 u |
| Formula |
C22H24F3NO3 |
| InChI |
InChI=1S/C22H24F3NO3/c1-12(2)11-29-21(28)18-13(3)26-16-9-6-10-17(27)20(16)19(18)14-7-4-5-8-15(14)22(23,24)25/h4-5,7-8,12,19,26H,6,9-11H2,1-3H3 |
| InChIKey |
MSTULAMGLRTIGX-UHFFFAOYSA-N |
| Molecular Weight |
407.433 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11188 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10251648; Lab Info: SAS; Lab Number: SAS-tst3684 |
| Temperature |
29.85 °C |
![3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-, 2-methylpropyl ester](/api/spectrum/80vcSWfx5VX/structure.png?h=300&w=458 "3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-, 2-methylpropyl ester")
