SpectraBase Spectrum ID |
CRPTrqaPbLt |
Name |
3,5-pyridinedicarboxylic acid, 4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydro-, dimethyl 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 |
415.098663955 u |
Formula |
C22H19ClFNO4 |
InChI |
InChI=1S/C22H19ClFNO4/c1-28-21(26)18-12-25(11-14-3-9-17(24)10-4-14)13-19(22(27)29-2)20(18)15-5-7-16(23)8-6-15/h3-10,12-13,20H,11H2,1-2H3 |
InChIKey |
QGQSPOKYLAOTDI-UHFFFAOYSA-N |
Molecular Weight |
415.848 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_9563 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10241032; Lab Info: SAS; Lab Number: SAS-tst3613 |
Temperature |
23.85 °C |