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1-propanone, 1-[4-[4-(2-chloro-5,6-difluoro-3-methylbenzoyl)-1-piperazinyl]-3-fluorophenyl]-
SpectraBase Compound ID LiXmEOhBHNG
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
Mol Weight 424.85 g/mol
Molecular Formula C21H20ClF3N2O2
Exact Mass 424.11654 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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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