| SpectraBase Spectrum ID |
4NyoQqXOGlH |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-, methyl 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 |
393.155178058 u |
| Formula |
C21H22F3NO3 |
| InChI |
InChI=1S/C21H22F3NO3/c1-11-16(19(27)28-4)17(12-5-7-13(8-6-12)21(22,23)24)18-14(25-11)9-20(2,3)10-15(18)26/h5-8,17,25H,9-10H2,1-4H3 |
| InChIKey |
OQPZXJDTPYMOSO-UHFFFAOYSA-N |
| Molecular Weight |
393.406 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11197 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10251667; Lab Info: SAS; Lab Number: SAS-tst3705 |
| Temperature |
29.85 °C |
![3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-, methyl ester](/api/spectrum/4NyoQqXOGlH/structure.png?h=300&w=458 "3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-, methyl ester")
