| SpectraBase Spectrum ID |
2rqreeeRgF |
| Name |
3-quinolinecarboxylic acid, 4-(3-bromophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, ethyl ester |
| Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.093956634 u |
| Formula |
C21H24BrNO3 |
| InChI |
InChI=1S/C21H24BrNO3/c1-5-26-20(25)17-12(2)23-15-10-21(3,4)11-16(24)19(15)18(17)13-7-6-8-14(22)9-13/h6-9,18,23H,5,10-11H2,1-4H3 |
| InChIKey |
HENDIBSTIVHGEM-UHFFFAOYSA-N |
| Molecular Weight |
418.331 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_3333 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9278426; Lab Number: BAS 0288081 |
| Temperature |
29.85 °C |
