| SpectraBase Spectrum ID |
7EyKGHEH2XH |
| Name |
3-quinolinecarboxylic acid, 4-(2-bromophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 1-methylpropyl 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 |
445.125256763 u |
| Formula |
C23H28BrNO3 |
| InChI |
InChI=1S/C23H28BrNO3/c1-6-13(2)28-22(27)19-14(3)25-17-11-23(4,5)12-18(26)21(17)20(19)15-9-7-8-10-16(15)24/h7-10,13,20,25H,6,11-12H2,1-5H3 |
| InChIKey |
DREGCMXRRNUOIK-UHFFFAOYSA-N |
| Molecular Weight |
446.385 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6778 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10220421; Lab Info: SAS; Lab Number: SAS-tst3417 |
