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(4Z)-4-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-ethoxybenzylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID HIQGCrzkGog
InChI InChI=1S/C26H21BrClN3O5/c1-3-35-24-14-17(13-22(27)25(24)36-15-18-6-4-5-7-23(18)28)12-21-16(2)29-30(26(21)32)19-8-10-20(11-9-19)31(33)34/h4-14H,3,15H2,1-2H3/b21-12-
InChIKey FKIJNEOWICRYSM-MTJSOVHGSA-N
Mol Weight 570.83 g/mol
Molecular Formula C26H21BrClN3O5
Exact Mass 569.035311 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6DuraMFQnR3
Name (4Z)-4-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-ethoxybenzylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
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/C26H21BrClN3O5/c1-3-35-24-14-17(13-22(27)25(24)36-15-18-6-4-5-7-23(18)28)12-21-16(2)29-30(26(21)32)19-8-10-20(11-9-19)31(33)34/h4-14H,3,15H2,1-2H3/b21-12-
InChIKey FKIJNEOWICRYSM-MTJSOVHGSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5315
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: UZI/9139424; Labnumber: BMWA-158417; UZI_ID: UZI-005317
Synonyms 4-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-ethoxybenzylidene}-5-methyl-2-(4-nitrophenyl)-2,4-dihydro-3H-pyrazol-3-one
Temperature 308 °C