SpectraBase Spectrum ID |
JGLwAoxZIGI |
Name |
1-piperidinecarboxylic acid, 4-[1-(4-chlorophenyl)-4-[[(2-ethylphenyl)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 |
508.224118636 u |
Formula |
C28H33ClN4O3 |
InChI |
InChI=1S/C28H33ClN4O3/c1-5-19-8-6-7-9-24(19)31-26(34)23-18-30-33(22-12-10-21(29)11-13-22)25(23)20-14-16-32(17-15-20)27(35)36-28(2,3)4/h6-13,18,20H,5,14-17H2,1-4H3,(H,31,34) |
InChIKey |
GJXUSFDIWBWQGT-UHFFFAOYSA-N |
Molecular Weight |
509.050 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_5913 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12709340 |