| SpectraBase Spectrum ID |
JIHh5694IjO |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(2-thienyl)-, (4-methoxyphenyl)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 |
437.166079523 u |
| Formula |
C25H27NO4S |
| InChI |
InChI=1S/C25H27NO4S/c1-15-21(24(28)30-14-16-7-9-17(29-4)10-8-16)23(20-6-5-11-31-20)22-18(26-15)12-25(2,3)13-19(22)27/h5-11,23,26H,12-14H2,1-4H3 |
| InChIKey |
HPZJEKCONPWXKY-UHFFFAOYSA-N |
| Molecular Weight |
437.554 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6009 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10211646; Lab Info: SAS; Lab Number: SAS-tst3327 |
