SpectraBase Spectrum ID |
Gkv0KLoDOQM |
Name |
1-piperidinecarboxylic acid, 4-[1-(4-chlorophenyl)-4-[[(3-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/c1-5-19-7-6-8-22(17-19)31-26(34)24-18-30-33(23-11-9-21(29)10-12-23)25(24)20-13-15-32(16-14-20)27(35)36-28(2,3)4/h6-12,17-18,20H,5,13-16H2,1-4H3,(H,31,34) |
InChIKey |
HUAYQPJLDDRHJS-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_6116 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12709639 |