SpectraBase Spectrum ID |
J2YTRE2CLCm |
Name |
piperidinium, 4-[1-(4-chlorophenyl)-4-[[(4-chlorophenyl)amino]carbonyl]-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 |
450.078094411 u |
Formula |
C21H21Cl3N4O |
InChI |
InChI=1S/C21H20Cl2N4O.ClH/c22-15-1-5-17(6-2-15)26-21(28)19-13-25-27(18-7-3-16(23)4-8-18)20(19)14-9-11-24-12-10-14;/h1-8,13-14,24H,9-12H2,(H,26,28);1H |
InChIKey |
BVKPZVHBBIMCJV-UHFFFAOYSA-N |
Molecular Weight |
451.785 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_6009 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12709469 |