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(3E,5E)-1-benzyl-3,5-bis(3-bromo-4-fluorobenzylidene)-4-piperidinone

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(3E,5E)-1-benzyl-3,5-bis(3-bromo-4-fluorobenzylidene)-4-piperidinone
SpectraBase Compound ID 5ezfwO89Orv
InChI InChI=1S/C26H19Br2F2NO/c27-22-12-18(6-8-24(22)29)10-20-15-31(14-17-4-2-1-3-5-17)16-21(26(20)32)11-19-7-9-25(30)23(28)13-19/h1-13H,14-16H2/b20-10+,21-11+
InChIKey BAGGJABEWRCEIS-CLVAPQHMSA-N
Mol Weight 559.25 g/mol
Molecular Formula C26H19Br2F2NO
Exact Mass 556.980147 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ArB1bhBz9pB
Name (3E,5E)-1-benzyl-3,5-bis(3-bromo-4-fluorobenzylidene)-4-piperidinone
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 556.980146561 u
Formula C26H19Br2F2NO
InChI InChI=1S/C26H19Br2F2NO/c27-22-12-18(6-8-24(22)29)10-20-15-31(14-17-4-2-1-3-5-17)16-21(26(20)32)11-19-7-9-25(30)23(28)13-19/h1-13H,14-16H2/b20-10+,21-11+
InChIKey BAGGJABEWRCEIS-CLVAPQHMSA-N
Molecular Weight 559.249 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3983
Solvent DMSO-d6
Source Vendor ID: NMR/12308594