| SpectraBase Spectrum ID |
JEJKepQNKqD |
| Name |
3-quinolinecarboxylic acid, 4-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, methyl 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 |
399.087350379 u |
| Formula |
C21H18ClNO5 |
| InChI |
InChI=1S/C21H18ClNO5/c1-10-17(21(26)27-2)18(19-14(23-10)4-3-5-15(19)24)13-9-28-16-7-6-11(22)8-12(16)20(13)25/h6-9,18,23H,3-5H2,1-2H3 |
| InChIKey |
JTZKILTYPNEPCS-UHFFFAOYSA-N |
| Molecular Weight |
399.830 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11674 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10271298; Lab Info: SAS; Lab Number: SAS-tst4052 |
| Temperature |
29.85 °C |
