SpectraBase Spectrum ID |
3OcYMKv0QKv |
Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(3-hydroxy-4-methoxyphenyl)-2-methyl-5-oxo-, 2-ethoxyethyl 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 |
401.183837587 u |
Formula |
C22H27NO6 |
InChI |
InChI=1S/C22H27NO6/c1-4-28-10-11-29-22(26)19-13(2)23-15-6-5-7-16(24)21(15)20(19)14-8-9-18(27-3)17(25)12-14/h8-9,12,20,23,25H,4-7,10-11H2,1-3H3 |
InChIKey |
OHQIKLCLEHMPDA-UHFFFAOYSA-N |
Molecular Weight |
401.459 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_11271 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10252186; Lab Info: SAS; Lab Number: SAS-tst3797 |
Temperature |
29.85 °C |