SpectraBase Spectrum ID |
81KJrAsLyEN |
Name |
1-piperidinecarboxylic acid, 4-[4-[[(4-bromo-3-methylphenyl)amino]carbonyl]-1-(4-chlorophenyl)-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 |
572.118981539 u |
Formula |
C27H30BrClN4O3 |
InChI |
InChI=1S/C27H30BrClN4O3/c1-17-15-20(7-10-23(17)28)31-25(34)22-16-30-33(21-8-5-19(29)6-9-21)24(22)18-11-13-32(14-12-18)26(35)36-27(2,3)4/h5-10,15-16,18H,11-14H2,1-4H3,(H,31,34) |
InChIKey |
HMOFZSKOKOSHOE-UHFFFAOYSA-N |
Molecular Weight |
573.919 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_5911 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12709338 |