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1-[4-[4-(4-Bromo-benzoyl)-piperazin-1-yl]-3-fluoro-phenyl]-butan-1-one
SpectraBase Compound ID 2w7cJvCoehg
InChI InChI=1S/C21H22BrFN2O2/c1-2-3-20(26)16-6-9-19(18(23)14-16)24-10-12-25(13-11-24)21(27)15-4-7-17(22)8-5-15/h4-9,14H,2-3,10-13H2,1H3
InChIKey GQHCTHZXUUDPTB-UHFFFAOYSA-N
Mol Weight 433.32 g/mol
Molecular Formula C21H22BrFN2O2
Exact Mass 432.084869 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B1ZPKpLPZTc
Name 1-butanone, 1-[4-[4-(4-bromobenzoyl)-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 432.084869117 u
Formula C21H22BrFN2O2
InChI InChI=1S/C21H22BrFN2O2/c1-2-3-20(26)16-6-9-19(18(23)14-16)24-10-12-25(13-11-24)21(27)15-4-7-17(22)8-5-15/h4-9,14H,2-3,10-13H2,1H3
InChIKey GQHCTHZXUUDPTB-UHFFFAOYSA-N
Molecular Weight 433.321 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11708
Solvent DMSO-d6
Source Vendor ID: NMR/10271341; Lab Info: LIP; Lab Number: LIP-0000029