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(3E,5E)-3,5-bis(3-bromo-4-methoxybenzylidene)-1-methyl-4-piperidinone
SpectraBase Compound ID IaSJwwdMQNa
InChI InChI=1S/C22H21Br2NO3/c1-25-12-16(8-14-4-6-20(27-2)18(23)10-14)22(26)17(13-25)9-15-5-7-21(28-3)19(24)11-15/h4-11H,12-13H2,1-3H3/b16-8+,17-9+
InChIKey SYULOIQVQBNHSI-GONBZBRSSA-N
Mol Weight 507.22 g/mol
Molecular Formula C22H21Br2NO3
Exact Mass 504.98882 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AY4Ruy552O4
Name (3E,5E)-3,5-bis(3-bromo-4-methoxybenzylidene)-1-methyl-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 504.988819537 u
Formula C22H21Br2NO3
InChI InChI=1S/C22H21Br2NO3/c1-25-12-16(8-14-4-6-20(27-2)18(23)10-14)22(26)17(13-25)9-15-5-7-21(28-3)19(24)11-15/h4-11H,12-13H2,1-3H3/b16-8+,17-9+
InChIKey SYULOIQVQBNHSI-GONBZBRSSA-N
Molecular Weight 507.222 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_3981
Solvent DMSO-d6
Source Vendor ID: NMR/12308590