SpectraBase Spectrum ID |
8zUSXvEy4nk |
Name |
1-piperidinecarboxylic acid, 4-[1-(3-chloro-4-methylphenyl)-4-[[(2,4-difluorophenyl)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 |
530.189624833 u |
Formula |
C27H29ClF2N4O3 |
InChI |
InChI=1S/C27H29ClF2N4O3/c1-16-5-7-19(14-21(16)28)34-24(17-9-11-33(12-10-17)26(36)37-27(2,3)4)20(15-31-34)25(35)32-23-8-6-18(29)13-22(23)30/h5-8,13-15,17H,9-12H2,1-4H3,(H,32,35) |
InChIKey |
XRWYKYZBRMYWCS-UHFFFAOYSA-N |
Molecular Weight |
531.004 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_6768 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12718099 |