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1-[4-[4-(2,4-Dichloro-benzoyl)-piperazin-1-yl]-3-fluoro-phenyl]-butan-1-one
SpectraBase Compound ID Ld2X3sTumIN
InChI InChI=1S/C21H21Cl2FN2O2/c1-2-3-20(27)14-4-7-19(18(24)12-14)25-8-10-26(11-9-25)21(28)16-6-5-15(22)13-17(16)23/h4-7,12-13H,2-3,8-11H2,1H3
InChIKey UALJHPGHXSSDED-UHFFFAOYSA-N
Mol Weight 423.32 g/mol
Molecular Formula C21H21Cl2FN2O2
Exact Mass 422.096411 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BwqxPgKj7O8
Name 1-butanone, 1-[4-[4-(2,4-dichlorobenzoyl)-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 422.096411485 u
Formula C21H21Cl2FN2O2
InChI InChI=1S/C21H21Cl2FN2O2/c1-2-3-20(27)14-4-7-19(18(24)12-14)25-8-10-26(11-9-25)21(28)16-6-5-15(22)13-17(16)23/h4-7,12-13H,2-3,8-11H2,1H3
InChIKey UALJHPGHXSSDED-UHFFFAOYSA-N
Molecular Weight 423.315 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12060
Solvent DMSO-d6
Source Vendor ID: NMR/10271846; Lab Info: LIP; Lab Number: LIP-0001565