| SpectraBase Spectrum ID |
I8QSqUG0XCJ |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-(4-propoxyphenyl)-, 2-phenylethyl 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 |
445.225308478 u |
| Formula |
C28H31NO4 |
| InChI |
InChI=1S/C28H31NO4/c1-3-17-32-22-14-12-21(13-15-22)26-25(19(2)29-23-10-7-11-24(30)27(23)26)28(31)33-18-16-20-8-5-4-6-9-20/h4-6,8-9,12-15,26,29H,3,7,10-11,16-18H2,1-2H3 |
| InChIKey |
VTAUTJAZIHITQQ-UHFFFAOYSA-N |
| Molecular Weight |
445.559 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6008 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10211643; Lab Info: SAS; Lab Number: SAS-tst3324 |
