| SpectraBase Spectrum ID |
8iKi4X1jrc3 |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-(4-nitrophenyl)-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 |
424.109292921 u |
| Formula |
C22H20N2O5S |
| InChI |
InChI=1S/C22H20N2O5S/c1-12-19(22(26)29-2)20(13-5-7-15(8-6-13)24(27)28)21-16(23-12)10-14(11-17(21)25)18-4-3-9-30-18/h3-9,14,20,23H,10-11H2,1-2H3 |
| InChIKey |
IVBIIYKBHXZVET-UHFFFAOYSA-N |
| Molecular Weight |
424.471 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11291 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10252213; Lab Info: SAS; Lab Number: SAS-tst3824 |
| Temperature |
29.85 °C |
