| SpectraBase Spectrum ID |
6SU5abfhtKT |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(4-oxo-4H-1-benzopyran-3-yl)-, 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 |
393.157622840 u |
| Formula |
C23H23NO5 |
| InChI |
InChI=1S/C23H23NO5/c1-12-18(22(27)28-4)19(20-15(24-12)9-23(2,3)10-16(20)25)14-11-29-17-8-6-5-7-13(17)21(14)26/h5-8,11,19,24H,9-10H2,1-4H3 |
| InChIKey |
QJKUARJAKPOZKK-UHFFFAOYSA-N |
| Molecular Weight |
393.439 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_1920 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9215076; Lab Info: SAS; Lab Number: SAS-TST0519 |
| Temperature |
29.85 °C |
