SpectraBase Spectrum ID |
X0ZIu5sIj4 |
Name |
1-piperidinecarboxylic acid, 4-[4-[[(3-acetylphenyl)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 |
522.203383190 u |
Formula |
C28H31ClN4O4 |
InChI |
InChI=1S/C28H31ClN4O4/c1-18(34)20-6-5-7-22(16-20)31-26(35)24-17-30-33(23-10-8-21(29)9-11-23)25(24)19-12-14-32(15-13-19)27(36)37-28(2,3)4/h5-11,16-17,19H,12-15H2,1-4H3,(H,31,35) |
InChIKey |
PVPXXEKDFMUXCS-UHFFFAOYSA-N |
Molecular Weight |
523.033 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_5918 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12709346 |