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(4E)-4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(4-fluorophenyl)-1,3-oxazol-5(4H)-one
SpectraBase Compound ID LEaNzoxh7eT
InChI InChI=1S/C25H19BrFNO4/c1-15-5-3-4-6-18(15)14-31-23-20(26)11-16(13-22(23)30-2)12-21-25(29)32-24(28-21)17-7-9-19(27)10-8-17/h3-13H,14H2,1-2H3/b21-12+
InChIKey ZXLGAUCRMJNKJV-CIAFOILYSA-N
Mol Weight 496.33 g/mol
Molecular Formula C25H19BrFNO4
Exact Mass 495.048149 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 35GxmkYJ2B8
Name (4E)-4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(4-fluorophenyl)-1,3-oxazol-5(4H)-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/C25H19BrFNO4/c1-15-5-3-4-6-18(15)14-31-23-20(26)11-16(13-22(23)30-2)12-21-25(29)32-24(28-21)17-7-9-19(27)10-8-17/h3-13H,14H2,1-2H3/b21-12+
InChIKey ZXLGAUCRMJNKJV-CIAFOILYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4325
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/8117275; UBI_ID: UBI-004326
Synonyms 4-{3-bromo-5-methoxy-4-[(2-methylbenzyl)oxy]benzylidene}-2-(4-fluorophenyl)-1,3-oxazol-5(4H)-one
Temperature 308 °C