| SpectraBase Spectrum ID |
HaCOzrELVxD |
| Name |
3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-[3-(phenylmethoxy)phenyl]-, 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 |
431.209658414 u |
| Formula |
C27H29NO4 |
| InChI |
InChI=1S/C27H29NO4/c1-17-23(26(30)31-4)24(25-21(28-17)14-27(2,3)15-22(25)29)19-11-8-12-20(13-19)32-16-18-9-6-5-7-10-18/h5-13,24,28H,14-16H2,1-4H3 |
| InChIKey |
YGGFGMYIPDTDLB-UHFFFAOYSA-N |
| Molecular Weight |
431.532 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11199 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10251669; Lab Info: SAS; Lab Number: SAS-tst3707 |
| Temperature |
29.85 °C |
![3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-[3-(phenylmethoxy)phenyl]-, methyl ester](/api/spectrum/HaCOzrELVxD/structure.png?h=300&w=458 "3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-[3-(phenylmethoxy)phenyl]-, methyl ester")
