| SpectraBase Spectrum ID |
6b8uCHjwi6F |
| Name |
3-quinolinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-7-(2-thienyl)-, 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 |
423.114043949 u |
| Formula |
C23H21NO5S |
| InChI |
InChI=1S/C23H21NO5S/c1-12-20(23(26)27-2)21(13-5-6-17-18(10-13)29-11-28-17)22-15(24-12)8-14(9-16(22)25)19-4-3-7-30-19/h3-7,10,14,21,24H,8-9,11H2,1-2H3 |
| InChIKey |
QGJZULCMKPJIBW-UHFFFAOYSA-N |
| Molecular Weight |
423.483 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_8862 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10230927; Lab Info: SAS; Lab Number: SAS-tst3589 |
| Temperature |
23.85 °C |
