SpectraBase Spectrum ID |
8Wn2r8DZxF0 |
Name |
1-piperidinecarboxylic acid, 4-[1-(3-chloro-4-methylphenyl)-4-[[(4-fluorophenyl)amino]carbonyl]-1H-pyrazol-5-yl]-, 1,1-dimethylethyl ester |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
512.199046702 u |
Formula |
C27H30ClFN4O3 |
InChI |
InChI=1S/C27H30ClFN4O3/c1-17-5-10-21(15-23(17)28)33-24(18-11-13-32(14-12-18)26(35)36-27(2,3)4)22(16-30-33)25(34)31-20-8-6-19(29)7-9-20/h5-10,15-16,18H,11-14H2,1-4H3,(H,31,34) |
InChIKey |
YUBYSKSBNFAPFP-UHFFFAOYSA-N |
Molecular Weight |
513.013 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_6767 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12718098 |