SpectraBase Spectrum ID |
ENBqqVWz4zu |
Name |
piperidinium, 4-[4-[[(4-bromo-3-methylphenyl)amino]carbonyl]-1-(2-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 |
508.043229776 u |
Formula |
C22H23BrCl2N4O |
InChI |
InChI=1S/C22H22BrClN4O.ClH/c1-14-12-16(6-7-18(14)23)27-22(29)17-13-26-28(20-5-3-2-4-19(20)24)21(17)15-8-10-25-11-9-15;/h2-7,12-13,15,25H,8-11H2,1H3,(H,27,29);1H |
InChIKey |
SYQJEAKVMBSRFS-UHFFFAOYSA-N |
Molecular Weight |
510.263 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_6118 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12709641 |