SpectraBase Spectrum ID |
FxSQDMBA15S |
Name |
1-piperidinecarboxylic acid, 4-[4-[[(3-chloro-4-methylphenyl)amino]carbonyl]-1-(2-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 |
528.169496239 u |
Formula |
C27H30Cl2N4O3 |
InChI |
InChI=1S/C27H30Cl2N4O3/c1-17-9-10-19(15-22(17)29)31-25(34)20-16-30-33(23-8-6-5-7-21(23)28)24(20)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 |
YLIODBKSQBVFBZ-UHFFFAOYSA-N |
Molecular Weight |
529.468 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_5999 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12709454 |