SpectraBase Spectrum ID |
DgT2iy2Y45n |
Name |
piperidinium, 4-[4-[[(5-chloro-2-methylphenyl)amino]carbonyl]-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-, chloride |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
458.164016937 u |
Formula |
C24H28Cl2N4O |
InChI |
InChI=1S/C24H27ClN4O.ClH/c1-15-5-7-20(12-17(15)3)29-23(18-8-10-26-11-9-18)21(14-27-29)24(30)28-22-13-19(25)6-4-16(22)2;/h4-7,12-14,18,26H,8-11H2,1-3H3,(H,28,30);1H |
InChIKey |
TXDFYUGBTKDGMJ-UHFFFAOYSA-N |
Molecular Weight |
459.421 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_5278 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12708316 |
Temperature |
23.85 °C |