SpectraBase Spectrum ID |
FxIwUGNvaOq |
Name |
piperidinium, 4-[4-[(1,3-benzodioxol-5-ylamino)carbonyl]-1-(4-chlorophenyl)-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 |
460.106895981 u |
Formula |
C22H22Cl2N4O3 |
InChI |
InChI=1S/C22H21ClN4O3.ClH/c23-15-1-4-17(5-2-15)27-21(14-7-9-24-10-8-14)18(12-25-27)22(28)26-16-3-6-19-20(11-16)30-13-29-19;/h1-6,11-12,14,24H,7-10,13H2,(H,26,28);1H |
InChIKey |
YOEJFJVOZYPMKE-UHFFFAOYSA-N |
Molecular Weight |
461.349 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_6127 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12709650 |