SpectraBase Spectrum ID |
tEnEJ9rKiQ |
Name |
1-piperidinecarboxylic acid, 4-[4-[[[(3-chlorophenyl)methyl]amino]carbonyl]-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-, 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 |
522.239768700 u |
Formula |
C29H35ClN4O3 |
InChI |
InChI=1S/C29H35ClN4O3/c1-19-9-10-24(15-20(19)2)34-26(22-11-13-33(14-12-22)28(36)37-29(3,4)5)25(18-32-34)27(35)31-17-21-7-6-8-23(30)16-21/h6-10,15-16,18,22H,11-14,17H2,1-5H3,(H,31,35) |
InChIKey |
ITBOKSVZBZVYOX-UHFFFAOYSA-N |
Molecular Weight |
523.077 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_5302 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12708019 |