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(4E)-4-[4-(benzyloxy)-2-bromo-5-methoxybenzylidene]-2-(2-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 77wr2sigBoB
InChI InChI=1S/C25H20BrClN2O3/c1-16-19(25(30)29(28-16)22-11-7-6-10-21(22)27)12-18-13-23(31-2)24(14-20(18)26)32-15-17-8-4-3-5-9-17/h3-14H,15H2,1-2H3/b19-12+
InChIKey WLCMRXABIQYCJN-XDHOZWIPSA-N
Mol Weight 511.8 g/mol
Molecular Formula C25H20BrClN2O3
Exact Mass 510.034583 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 22k4SwlMBb4
Name (4E)-4-[4-(benzyloxy)-2-bromo-5-methoxybenzylidene]-2-(2-chlorophenyl)-5-methyl-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/C25H20BrClN2O3/c1-16-19(25(30)29(28-16)22-11-7-6-10-21(22)27)12-18-13-23(31-2)24(14-20(18)26)32-15-17-8-4-3-5-9-17/h3-14H,15H2,1-2H3/b19-12+
InChIKey WLCMRXABIQYCJN-XDHOZWIPSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7145
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/8192505; UBI_ID: UBI-007148
Synonyms 4-[4-(benzyloxy)-2-bromo-5-methoxybenzylidene]-2-(2-chlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Temperature 308 °C