SpectraBase Spectrum ID |
FK9ilj2YJNv |
Name |
1-piperidinecarboxylic acid, 4-[1-(4-chlorophenyl)-4-[[(3-fluorophenyl)amino]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl 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 |
498.183396638 u |
Formula |
C26H28ClFN4O3 |
InChI |
InChI=1S/C26H28ClFN4O3/c1-26(2,3)35-25(34)31-13-11-17(12-14-31)23-22(24(33)30-20-6-4-5-19(28)15-20)16-29-32(23)21-9-7-18(27)8-10-21/h4-10,15-17H,11-14H2,1-3H3,(H,30,33) |
InChIKey |
BPBHALDSVCJSTJ-UHFFFAOYSA-N |
Molecular Weight |
498.986 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_5908 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12709335 |