| SpectraBase Spectrum ID |
LL6A1ygO5KM |
| Name |
3-quinolinecarboxylic acid, 4-(4-chloro-3-nitrophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, propyl 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 |
432.145199608 u |
| Formula |
C22H25ClN2O5 |
| InChI |
InChI=1S/C22H25ClN2O5/c1-5-8-30-21(27)18-12(2)24-15-10-22(3,4)11-17(26)20(15)19(18)13-6-7-14(23)16(9-13)25(28)29/h6-7,9,19,24H,5,8,10-11H2,1-4H3 |
| InChIKey |
ZDJRHHNLDYNCDY-UHFFFAOYSA-N |
| Molecular Weight |
432.904 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11172 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10251625; Lab Info: SAS; Lab Number: SAS-tst3660 |
| Temperature |
29.85 °C |
