| SpectraBase Spectrum ID |
AsRWPS9yWFS |
| 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-, 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 |
413.103000443 u |
| Formula |
C22H20ClNO5 |
| InChI |
InChI=1S/C22H20ClNO5/c1-3-28-22(27)18-11(2)24-15-5-4-6-16(25)20(15)19(18)14-10-29-17-8-7-12(23)9-13(17)21(14)26/h7-10,19,24H,3-6H2,1-2H3 |
| InChIKey |
GYIXNBCVNMWGLQ-UHFFFAOYSA-N |
| Molecular Weight |
413.857 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_8226 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9254460; Lab Info: SAS; Lab Number: SAS-TST2110 |
| Temperature |
29.85 °C |
