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methyl 4-[4-chloro-3-(trifluoromethyl)anilino]-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
SpectraBase Compound ID 5ODhvrfnhJa
InChI InChI=1S/C13H10ClF6NO4/c1-25-10(23)11(24,13(18,19)20)5-9(22)21-6-2-3-8(14)7(4-6)12(15,16)17/h2-4,24H,5H2,1H3,(H,21,22)
InChIKey KQKUTINSMQALCO-UHFFFAOYSA-N
Mol Weight 393.67 g/mol
Molecular Formula C13H10ClF6NO4
Exact Mass 393.020254 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IHddYzzgCrO
Name methyl 4-[4-chloro-3-(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/C13H10ClF6NO4/c1-25-10(23)11(24,13(18,19)20)5-9(22)21-6-2-3-8(14)7(4-6)12(15,16)17/h2-4,24H,5H2,1H3,(H,21,22)
InChIKey KQKUTINSMQALCO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1325
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: 9256807; UBI_ID: UBI-001326
Temperature 318 °C