| SpectraBase Spectrum ID |
Gtk0in9LJEd |
| Name |
3-quinolinecarboxylic acid, 4-(2-chloro-5-nitrophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-(ethylthio)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 |
450.101620718 u |
| Formula |
C21H23ClN2O5S |
| InChI |
InChI=1S/C21H23ClN2O5S/c1-3-30-10-9-29-21(26)18-12(2)23-16-5-4-6-17(25)20(16)19(18)14-11-13(24(27)28)7-8-15(14)22/h7-8,11,19,23H,3-6,9-10H2,1-2H3 |
| InChIKey |
SGVLVMLHLYUVCO-UHFFFAOYSA-N |
| Molecular Weight |
450.937 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_5994 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10211621; Lab Info: SAS; Lab Number: SAS-tst3299 |
