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

View entire compound with spectra: 1 NMR

methyl 4-(4-chloro-2-fluoroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
SpectraBase Compound ID 9tXF8YAbxbr
InChI InChI=1S/C12H10ClF4NO4/c1-22-10(20)11(21,12(15,16)17)5-9(19)18-8-3-2-6(13)4-7(8)14/h2-4,21H,5H2,1H3,(H,18,19)
InChIKey VMPZEXAAZRMGSJ-UHFFFAOYSA-N
Mol Weight 343.66 g/mol
Molecular Formula C12H10ClF4NO4
Exact Mass 343.023448 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5ApplITNIdm
Name methyl 4-(4-chloro-2-fluoroanilino)-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/C12H10ClF4NO4/c1-22-10(20)11(21,12(15,16)17)5-9(19)18-8-3-2-6(13)4-7(8)14/h2-4,21H,5H2,1H3,(H,18,19)
InChIKey VMPZEXAAZRMGSJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1329
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: 9198934; UBI_ID: UBI-001330
Temperature 318 °C