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

View entire compound with spectra: 1 NMR

methyl 4-(3-chloro-4-cyanoanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
SpectraBase Compound ID 6xgdh5dSSPf
InChI InChI=1S/C13H10ClF3N2O4/c1-23-11(21)12(22,13(15,16)17)5-10(20)19-8-3-2-7(6-18)9(14)4-8/h2-4,22H,5H2,1H3,(H,19,20)
InChIKey XLKPIHLQBRJVRB-UHFFFAOYSA-N
Mol Weight 350.68 g/mol
Molecular Formula C13H10ClF3N2O4
Exact Mass 350.028119 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FfgcRMVGIWf
Name methyl 4-(3-chloro-4-cyanoanilino)-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/C13H10ClF3N2O4/c1-23-11(21)12(22,13(15,16)17)5-10(20)19-8-3-2-7(6-18)9(14)4-8/h2-4,22H,5H2,1H3,(H,19,20)
InChIKey XLKPIHLQBRJVRB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8981
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: 1002034; UBI_ID: UBI-008984
Temperature 308 °C