SpectraBase Spectrum ID |
3efSGgvathJ |
Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-[4-(trifluoromethyl)phenyl]-, 2-phenylethyl 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 |
455.170828123 u |
Formula |
C26H24F3NO3 |
InChI |
InChI=1S/C26H24F3NO3/c1-16-22(25(32)33-15-14-17-6-3-2-4-7-17)23(24-20(30-16)8-5-9-21(24)31)18-10-12-19(13-11-18)26(27,28)29/h2-4,6-7,10-13,23,30H,5,8-9,14-15H2,1H3 |
InChIKey |
OBWWIRKFEJLXJK-UHFFFAOYSA-N |
Molecular Weight |
455.477 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_9347 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10240486; Lab Info: SAS; Lab Number: SAS-tst3674 |