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methyl 4-[3,5-bis(trifluoromethyl)anilino]-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
SpectraBase Compound ID EVCyEe4yjfM
InChI InChI=1S/C14H10F9NO4/c1-28-10(26)11(27,14(21,22)23)5-9(25)24-8-3-6(12(15,16)17)2-7(4-8)13(18,19)20/h2-4,27H,5H2,1H3,(H,24,25)
InChIKey FNQUQVAQINANAR-UHFFFAOYSA-N
Mol Weight 427.22 g/mol
Molecular Formula C14H10F9NO4
Exact Mass 427.046611 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EPIKrPcw8WR
Name methyl 4-[3,5-bis(trifluoromethyl)anilino]-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/C14H10F9NO4/c1-28-10(26)11(27,14(21,22)23)5-9(25)24-8-3-6(12(15,16)17)2-7(4-8)13(18,19)20/h2-4,27H,5H2,1H3,(H,24,25)
InChIKey FNQUQVAQINANAR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_21201
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/9677979; UBI_ID: UBI-021205
Temperature 308 °C