SpectraBase Spectrum ID |
Bb5njv4JeqB |
Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(3-hydroxy-4-methoxyphenyl)-2-methyl-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 |
449.183837587 u |
Formula |
C26H27NO6 |
InChI |
InChI=1S/C26H27NO6/c1-15-23(26(30)33-14-16-7-10-18(31-2)11-8-16)24(17-9-12-22(32-3)21(29)13-17)25-19(27-15)5-4-6-20(25)28/h7-13,24,27,29H,4-6,14H2,1-3H3 |
InChIKey |
JYWQQWHFOCWBAY-UHFFFAOYSA-N |
Molecular Weight |
449.503 g/mol |
NMR Offset |
16.1752 |
NMR Spectrometer Frequency |
200.133 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_7997 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9234119; Lab Info: SAS; Lab Number: SAS-TST0939 |
Temperature |
39.85 °C |