| SpectraBase Spectrum ID |
Ix2Avqp3ROP |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-[4-(methylthio)phenyl]-5-oxo-, 2-ethoxyethyl 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 |
401.166079523 u |
| Formula |
C22H27NO4S |
| InChI |
InChI=1S/C22H27NO4S/c1-4-26-12-13-27-22(25)19-14(2)23-17-6-5-7-18(24)21(17)20(19)15-8-10-16(28-3)11-9-15/h8-11,20,23H,4-7,12-13H2,1-3H3 |
| InChIKey |
LKHKXNKARBLAEW-UHFFFAOYSA-N |
| Molecular Weight |
401.521 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6784 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10220428; Lab Info: SAS; Lab Number: SAS-tst3424 |
![3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-[4-(methylthio)phenyl]-5-oxo-, 2-ethoxyethyl ester](/api/spectrum/Ix2Avqp3ROP/structure.png?h=300&w=458 "3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-[4-(methylthio)phenyl]-5-oxo-, 2-ethoxyethyl ester")
