| SpectraBase Spectrum ID |
D5vAmZabbms |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-, 2-methoxyethyl ester |
| Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
459.225702400 u |
| Formula |
C25H33NO7 |
| InChI |
InChI=1S/C25H33NO7/c1-14-21(24(28)33-9-8-29-4)22(23-16(26-14)12-25(2,3)13-17(23)27)15-10-19(31-6)20(32-7)11-18(15)30-5/h10-11,22,26H,8-9,12-13H2,1-7H3 |
| InChIKey |
SGJUVMAQSKDRFV-UHFFFAOYSA-N |
| Molecular Weight |
459.539 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11185 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10251644; Lab Info: SAS; Lab Number: SAS-tst3680 |
| Temperature |
29.85 °C |