SpectraBase Spectrum ID |
5KBmP2PUCNC |
Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-7-(2-thienyl)-4-(3-thienyl)-, 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 |
443.122500633 u |
Formula |
C23H25NO4S2 |
InChI |
InChI=1S/C23H25NO4S2/c1-3-27-7-8-28-23(26)20-14(2)24-17-11-16(19-5-4-9-30-19)12-18(25)22(17)21(20)15-6-10-29-13-15/h4-6,9-10,13,16,21,24H,3,7-8,11-12H2,1-2H3 |
InChIKey |
PCHDSCMEMKJBPF-UHFFFAOYSA-N |
Molecular Weight |
443.576 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_16394 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10311593; Lab Info: SAS; Lab Number: SAS-tst4388 |