SpectraBase Spectrum ID |
HFqikQVU40S |
Name |
3-pyridinecarboxylic acid, 4-(2-bromophenyl)-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 |
413.062656505 u |
Formula |
C21H20BrNO3 |
InChI |
InChI=1S/C21H20BrNO3/c1-14-20(21(25)26-12-11-15-7-3-2-4-8-15)17(13-19(24)23-14)16-9-5-6-10-18(16)22/h2-10,17H,11-13H2,1H3,(H,23,24) |
InChIKey |
RUFMMRHDLRELFK-UHFFFAOYSA-N |
Molecular Weight |
414.299 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_8065 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9290518; Lab Info: SAS; Lab Number: SAS-TST2914 |
Temperature |
29.85 °C |