| SpectraBase Spectrum ID |
6bgm9VVf57S |
| Name |
3-quinolinecarboxylic acid, 4-(2-chloro-5-nitrophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-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 |
418.129549544 u |
| Formula |
C21H23ClN2O5 |
| InChI |
InChI=1S/C21H23ClN2O5/c1-11(2)10-29-21(26)18-12(3)23-16-5-4-6-17(25)20(16)19(18)14-9-13(24(27)28)7-8-15(14)22/h7-9,11,19,23H,4-6,10H2,1-3H3 |
| InChIKey |
XNGRGCUOPOEGPV-UHFFFAOYSA-N |
| Molecular Weight |
418.877 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11187 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10251646; Lab Info: SAS; Lab Number: SAS-tst3682 |
| Temperature |
29.85 °C |
