| SpectraBase Spectrum ID |
Ea4XzqwFRjd |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(2-methylphenyl)-5-oxo-, (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 |
445.225308478 u |
| Formula |
C28H31NO4 |
| InChI |
InChI=1S/C28H31NO4/c1-17-8-6-7-9-21(17)25-24(27(31)33-16-19-10-12-20(32-5)13-11-19)18(2)29-22-14-28(3,4)15-23(30)26(22)25/h6-13,25,29H,14-16H2,1-5H3 |
| InChIKey |
OBYCXPGPWMCKQI-UHFFFAOYSA-N |
| Molecular Weight |
445.559 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11230 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10251731; Lab Info: SAS; Lab Number: SAS-tst3772 |
| Temperature |
29.85 °C |
