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2-Bromanyl-N-[(Z)-1-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxidanylidene-prop-1-en-2-yl]benzamide
SpectraBase Compound ID DND56zda20j
InChI InChI=1S/C21H21BrFN3O2/c1-25-9-11-26(12-10-25)21(28)19(14-15-5-4-6-16(23)13-15)24-20(27)17-7-2-3-8-18(17)22/h2-8,13-14H,9-12H2,1H3,(H,24,27)/b19-14-
InChIKey LFUYWKRUXIMEQZ-RGEXLXHISA-N
Mol Weight 446.32 g/mol
Molecular Formula C21H21BrFN3O2
Exact Mass 445.080118 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ICJ79lKMH6B
Name benzamide, 2-bromo-N-[(Z)-2-(3-fluorophenyl)-1-[(4-methyl-1-piperazinyl)carbonyl]ethenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.080118089 u
Formula C21H21BrFN3O2
InChI InChI=1S/C21H21BrFN3O2/c1-25-9-11-26(12-10-25)21(28)19(14-15-5-4-6-16(23)13-15)24-20(27)17-7-2-3-8-18(17)22/h2-8,13-14H,9-12H2,1H3,(H,24,27)/b19-14-
InChIKey LFUYWKRUXIMEQZ-RGEXLXHISA-N
Molecular Weight 446.320 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12280
Solvent DMSO-d6
Source Vendor ID: NMR/10272048; Lab Info: FNG; Lab Number: FNG-0000061