SpectraBase Spectrum ID |
ITLDGS6cgYN |
Name |
1-piperidinecarboxylic acid, 4-[1-(4-chlorophenyl)-4-[[(3,4-dimethylphenyl)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/c1-18-6-9-22(16-19(18)2)31-26(34)24-17-30-33(23-10-7-21(29)8-11-23)25(24)20-12-14-32(15-13-20)27(35)36-28(3,4)5/h6-11,16-17,20H,12-15H2,1-5H3,(H,31,34) |
InChIKey |
KMOCXVFBCUBNTC-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_5905 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12709330 |