| SpectraBase Spectrum ID |
9LYYUfHWq0b |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-, 2-phenoxyethyl 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/c1-18-9-8-10-20(15-18)25-24(27(31)33-14-13-32-21-11-6-5-7-12-21)19(2)29-22-16-28(3,4)17-23(30)26(22)25/h5-12,15,25,29H,13-14,16-17H2,1-4H3 |
| InChIKey |
FVDDBMFLRLHQSM-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_11283 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10252202; Lab Info: SAS; Lab Number: SAS-tst3813 |
| Temperature |
29.85 °C |
