SpectraBase Spectrum ID |
A1Qd601pkvw |
Name |
1-propanone, 1-[4-[4-(2-chloro-5,6-difluoro-3-methylbenzoyl)-1-piperazinyl]-3-fluorophenyl]- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
424.116540079 u |
Formula |
C21H20ClF3N2O2 |
InChI |
InChI=1S/C21H20ClF3N2O2/c1-3-17(28)13-4-5-16(14(23)11-13)26-6-8-27(9-7-26)21(29)18-19(22)12(2)10-15(24)20(18)25/h4-5,10-11H,3,6-9H2,1-2H3 |
InChIKey |
IRBIXWBOFIBXBB-UHFFFAOYSA-N |
Molecular Weight |
424.851 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_10014 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9251722; Lab Info: L-05; Lab Number: L-05,Lipkind |