| SpectraBase Spectrum ID |
Gy4UkQGBbaF |
| Name |
3-quinolinecarboxylic acid, 4-(2-chloro-5-nitrophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 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 |
404.113899479 u |
| Formula |
C20H21ClN2O5 |
| InChI |
InChI=1S/C20H21ClN2O5/c1-10-16(19(25)28-4)17(12-7-11(23(26)27)5-6-13(12)21)18-14(22-10)8-20(2,3)9-15(18)24/h5-7,17,22H,8-9H2,1-4H3 |
| InChIKey |
GRJUPGPBVZEFEP-UHFFFAOYSA-N |
| Molecular Weight |
404.850 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_9320 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10240441; Lab Info: SAS; Lab Number: SAS-tst3628 |
| Temperature |
23.85 °C |
