SpectraBase Spectrum ID |
9thfKfCfrS |
Name |
1-piperidinecarboxylic acid, 4-[4-[[(4-chlorophenyl)amino]carbonyl]-1-(3,4-dimethylphenyl)-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 |
508.224118636 u |
Formula |
C28H33ClN4O3 |
InChI |
InChI=1S/C28H33ClN4O3/c1-18-6-11-23(16-19(18)2)33-25(20-12-14-32(15-13-20)27(35)36-28(3,4)5)24(17-30-33)26(34)31-22-9-7-21(29)8-10-22/h6-11,16-17,20H,12-15H2,1-5H3,(H,31,34) |
InChIKey |
ZRAQDHXTXLXJJQ-UHFFFAOYSA-N |
Molecular Weight |
509.050 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_5410 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12708358 |