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methyl 4-(4-bromo-2-fluoroanilino)-3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate

View entire compound with spectra: 1 NMR

methyl 4-(4-bromo-2-fluoroanilino)-3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
SpectraBase Compound ID DqY4Ejim9Rl
InChI InChI=1S/C12H9BrClF4NO4/c1-23-10(21)11(22,12(16,17)18)8(14)9(20)19-7-3-2-5(13)4-6(7)15/h2-4,8,22H,1H3,(H,19,20)
InChIKey LUCCUPDSEAXQNP-UHFFFAOYSA-N
Mol Weight 422.56 g/mol
Molecular Formula C12H9BrClF4NO4
Exact Mass 420.933961 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CkmwhEXCvLM
Name methyl 4-(4-bromo-2-fluoroanilino)-3-chloro-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
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/C12H9BrClF4NO4/c1-23-10(21)11(22,12(16,17)18)8(14)9(20)19-7-3-2-5(13)4-6(7)15/h2-4,8,22H,1H3,(H,19,20)
InChIKey LUCCUPDSEAXQNP-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12823
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/9315851; UBI_ID: UBI-012826
Temperature 308 °C