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(4E)-4-[4-(allyloxy)-2-bromo-5-methoxybenzylidene]-2-(3-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID BjJTLRlxoVv
InChI InChI=1S/C21H18Br2N2O3/c1-4-8-28-20-12-18(23)14(10-19(20)27-3)9-17-13(2)24-25(21(17)26)16-7-5-6-15(22)11-16/h4-7,9-12H,1,8H2,2-3H3/b17-9+
InChIKey JGGUJBLTVVIFET-RQZCQDPDSA-N
Mol Weight 506.19 g/mol
Molecular Formula C21H18Br2N2O3
Exact Mass 503.968418 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4T1F0OMCHdh
Name (4E)-4-[4-(allyloxy)-2-bromo-5-methoxybenzylidene]-2-(3-bromophenyl)-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/C21H18Br2N2O3/c1-4-8-28-20-12-18(23)14(10-19(20)27-3)9-17-13(2)24-25(21(17)26)16-7-5-6-15(22)11-16/h4-7,9-12H,1,8H2,2-3H3/b17-9+
InChIKey JGGUJBLTVVIFET-RQZCQDPDSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6446
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/8184428; UBI_ID: UBI-006448
Synonyms 4-[4-(allyloxy)-2-bromo-5-methoxybenzylidene]-2-(3-bromophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Temperature 313 °C