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1,3-benzenediol, 2,4-dibromo-6-[(E)-[[2-(2-chloro-4-fluorophenyl)-5-benzoxazolyl]imino]methyl]-5-methyl-
SpectraBase Compound ID BORlkMacbKU
InChI InChI=1S/C21H12Br2ClFN2O3/c1-9-13(19(28)18(23)20(29)17(9)22)8-26-11-3-5-16-15(7-11)27-21(30-16)12-4-2-10(25)6-14(12)24/h2-8,28-29H,1H3/b26-8+
InChIKey XWPIUGTZEFZYAJ-MWRNPHMMSA-N
Mol Weight 554.6 g/mol
Molecular Formula C21H12Br2ClFN2O3
Exact Mass 551.888724 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L7VHLmue3a9
Name 1,3-benzenediol, 2,4-dibromo-6-[(E)-[[2-(2-chloro-4-fluorophenyl)-5-benzoxazolyl]imino]methyl]-5-methyl-
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/C21H12Br2ClFN2O3/c1-9-13(19(28)18(23)20(29)17(9)22)8-26-11-3-5-16-15(7-11)27-21(30-16)12-4-2-10(25)6-14(12)24/h2-8,28-29H,1H3/b26-8+
InChIKey XWPIUGTZEFZYAJ-MWRNPHMMSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_2990
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: AG-205/5107197; Labnumber: BM-68497b; IOH_ID: IOH-009993