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methyl 4-(2-fluoro-5-methylanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate

View entire compound with spectra: 1 NMR

methyl 4-(2-fluoro-5-methylanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
SpectraBase Compound ID 3Nj2O9pdA0V
InChI InChI=1S/C13H13F4NO4/c1-7-3-4-8(14)9(5-7)18-10(19)6-12(21,11(20)22-2)13(15,16)17/h3-5,21H,6H2,1-2H3,(H,18,19)
InChIKey KJVLJITZHBWMOB-UHFFFAOYSA-N
Mol Weight 323.24 g/mol
Molecular Formula C13H13F4NO4
Exact Mass 323.078071 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Lx2qgy3kLju
Name methyl 4-(2-fluoro-5-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/C13H13F4NO4/c1-7-3-4-8(14)9(5-7)18-10(19)6-12(21,11(20)22-2)13(15,16)17/h3-5,21H,6H2,1-2H3,(H,18,19)
InChIKey KJVLJITZHBWMOB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4796
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: 9680572; UBI_ID: UBI-004797
Temperature 308 °C