| SpectraBase Spectrum ID |
3Hb5V6NB67Y |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-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 |
365.126322711 u |
| Formula |
C21H19NO5 |
| InChI |
InChI=1S/C21H19NO5/c1-11-17(21(25)26-2)18(19-14(22-11)7-5-8-15(19)23)13-10-27-16-9-4-3-6-12(16)20(13)24/h3-4,6,9-10,18,22H,5,7-8H2,1-2H3 |
| InChIKey |
IGAOYYLTQWQZOH-UHFFFAOYSA-N |
| Molecular Weight |
365.385 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_8229 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9254465; Lab Info: SAS; Lab Number: SAS-TST2115 |
| Temperature |
29.85 °C |
