SpectraBase Spectrum ID |
90WUCDv6Yc9 |
Name |
1-piperidinecarboxylic acid, 4-[4-[[(3-chloro-4-methylphenyl)amino]carbonyl]-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-, 1,1- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
522.239768700 u |
Formula |
C29H35ClN4O3 |
InChI |
InChI=1S/C29H35ClN4O3/c1-18-8-10-23(15-20(18)3)34-26(21-11-13-33(14-12-21)28(36)37-29(4,5)6)24(17-31-34)27(35)32-22-9-7-19(2)25(30)16-22/h7-10,15-17,21H,11-14H2,1-6H3,(H,32,35) |
InChIKey |
GVVZVVYKMQQBCW-UHFFFAOYSA-N |
Molecular Weight |
523.077 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_5298 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12708015 |