SpectraBase Spectrum ID |
cEcNHMgQz0 |
Name |
3-quinolinecarboxylic acid, 4-(4-chloro-3-nitrophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 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 |
466.129549544 u |
Formula |
C25H23ClN2O5 |
InChI |
InChI=1S/C25H23ClN2O5/c1-15-22(25(30)33-13-12-16-6-3-2-4-7-16)23(24-19(27-15)8-5-9-21(24)29)17-10-11-18(26)20(14-17)28(31)32/h2-4,6-7,10-11,14,23,27H,5,8-9,12-13H2,1H3 |
InChIKey |
UGEGMPMJSLNZOB-UHFFFAOYSA-N |
Molecular Weight |
466.921 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_6011 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10211649; Lab Info: SAS; Lab Number: SAS-tst3330 |