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(2E)-3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-propenamide

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(2E)-3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-propenamide
SpectraBase Compound ID 8Q6TNWhhIa8
InChI InChI=1S/C29H26BrClFN3O3/c1-18-29(19(2)35(34-18)16-21-4-9-24(32)10-5-21)33-28(36)13-7-20-6-11-26(37-3)22(14-20)17-38-27-12-8-23(31)15-25(27)30/h4-15H,16-17H2,1-3H3,(H,33,36)/b13-7+
InChIKey IWOSCJGRIASXJS-NTUHNPAUSA-N
Mol Weight 598.9 g/mol
Molecular Formula C29H26BrClFN3O3
Exact Mass 597.083011 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IXu6psIf9ZK
Name (2E)-3-{3-[(2-bromo-4-chlorophenoxy)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/C29H26BrClFN3O3/c1-18-29(19(2)35(34-18)16-21-4-9-24(32)10-5-21)33-28(36)13-7-20-6-11-26(37-3)22(14-20)17-38-27-12-8-23(31)15-25(27)30/h4-15H,16-17H2,1-3H3,(H,33,36)/b13-7+
InChIKey IWOSCJGRIASXJS-NTUHNPAUSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3792
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: 9318817; UBI_ID: UBI-003793
Synonyms 3-{3-[(2-bromo-4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-2-propenamide
Temperature 308 °C