| SpectraBase Spectrum ID |
58IRruZThCb |
| Name |
3-pyridinecarboxylic acid, 4-(2-chloro-5-nitrophenyl)-1,4,5,6-tetrahydro-2-methyl-6-oxo-, 2-phenylethyl 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 |
414.098249415 u |
| Formula |
C21H19ClN2O5 |
| InChI |
InChI=1S/C21H19ClN2O5/c1-13-20(21(26)29-10-9-14-5-3-2-4-6-14)17(12-19(25)23-13)16-11-15(24(27)28)7-8-18(16)22/h2-8,11,17H,9-10,12H2,1H3,(H,23,25) |
| InChIKey |
ZLEHULCBBTUBOY-UHFFFAOYSA-N |
| Molecular Weight |
414.845 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_8061 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9290507; Lab Info: SAS; Lab Number: SAS-TST2902 |
| Temperature |
29.85 °C |
