SpectraBase Spectrum ID |
I07qUk7H5YA |
Name |
3-quinolinecarboxylic acid, 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-(1-methylethoxy)ethyl 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 |
521.141300748 u |
Formula |
C25H32BrNO6 |
InChI |
InChI=1S/C25H32BrNO6/c1-13(2)32-7-8-33-24(30)20-14(3)27-17-11-25(4,5)12-18(28)22(17)21(20)15-9-16(26)23(29)19(10-15)31-6/h9-10,13,21,27,29H,7-8,11-12H2,1-6H3 |
InChIKey |
QWPNVYHKUXBJBE-UHFFFAOYSA-N |
Molecular Weight |
522.436 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_11267 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10252180; Lab Info: SAS; Lab Number: SAS-tst3791 |
Temperature |
29.85 °C |