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(2E)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-propenamide
SpectraBase Compound ID DfadKqYs1x8
InChI InChI=1S/C29H27BrFN3O3/c1-19-29(20(2)34(33-19)17-22-4-10-25(31)11-5-22)32-28(35)15-7-21-6-14-27(36-3)23(16-21)18-37-26-12-8-24(30)9-13-26/h4-16H,17-18H2,1-3H3,(H,32,35)/b15-7+
InChIKey IJQHFTZIUZVNRO-VIZOYTHASA-N
Mol Weight 564.46 g/mol
Molecular Formula C29H27BrFN3O3
Exact Mass 563.121983 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BXZI5Vw1HPd
Name (2E)-3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-propenamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C29H27BrFN3O3/c1-19-29(20(2)34(33-19)17-22-4-10-25(31)11-5-22)32-28(35)15-7-21-6-14-27(36-3)23(16-21)18-37-26-12-8-24(30)9-13-26/h4-16H,17-18H2,1-3H3,(H,32,35)/b15-7+
InChIKey IJQHFTZIUZVNRO-VIZOYTHASA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3060
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 9314109; UBI_ID: UBI-003061
Synonyms 3-{3-[(4-bromophenoxy)methyl]-4-methoxyphenyl}-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-propenamide
Temperature 308 °C