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methyl 3-chloro-4-(3-fluoro-4-methylanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate

View entire compound with spectra: 1 NMR

methyl 3-chloro-4-(3-fluoro-4-methylanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
SpectraBase Compound ID FF2MmuTgXbz
InChI InChI=1S/C13H12ClF4NO4/c1-6-3-4-7(5-8(6)15)19-10(20)9(14)12(22,11(21)23-2)13(16,17)18/h3-5,9,22H,1-2H3,(H,19,20)
InChIKey DKMUMHMORVLGCA-UHFFFAOYSA-N
Mol Weight 357.69 g/mol
Molecular Formula C13H12ClF4NO4
Exact Mass 357.039098 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1wap5979Bio
Name methyl 3-chloro-4-(3-fluoro-4-methylanilino)-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/C13H12ClF4NO4/c1-6-3-4-7(5-8(6)15)19-10(20)9(14)12(22,11(21)23-2)13(16,17)18/h3-5,9,22H,1-2H3,(H,19,20)
InChIKey DKMUMHMORVLGCA-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12850
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/9315992; UBI_ID: UBI-012853
Temperature 308 °C