| SpectraBase Spectrum ID |
2tNCPham1XX |
| Name |
3-quinolinecarboxylic acid, 4-(3,4-difluorophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, (4-methoxyphenyl)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 |
467.190814675 u |
| Formula |
C27H27F2NO4 |
| InChI |
InChI=1S/C27H27F2NO4/c1-15-23(26(32)34-14-16-5-8-18(33-4)9-6-16)24(17-7-10-19(28)20(29)11-17)25-21(30-15)12-27(2,3)13-22(25)31/h5-11,24,30H,12-14H2,1-4H3 |
| InChIKey |
PHFDQBAFBDILEF-UHFFFAOYSA-N |
| Molecular Weight |
467.513 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6777 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10220420; Lab Info: SAS; Lab Number: SAS-tst3416 |
