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methyl 3-chloro-4-(3,4-difluoroanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
SpectraBase Compound ID 6eyD57ebnjo
InChI InChI=1S/C12H9ClF5NO4/c1-23-10(21)11(22,12(16,17)18)8(13)9(20)19-5-2-3-6(14)7(15)4-5/h2-4,8,22H,1H3,(H,19,20)
InChIKey MVFSCNAKGMPUKJ-UHFFFAOYSA-N
Mol Weight 361.65 g/mol
Molecular Formula C12H9ClF5NO4
Exact Mass 361.014026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A8uYlXtAzBD
Name methyl 3-chloro-4-(3,4-difluoroanilino)-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/C12H9ClF5NO4/c1-23-10(21)11(22,12(16,17)18)8(13)9(20)19-5-2-3-6(14)7(15)4-5/h2-4,8,22H,1H3,(H,19,20)
InChIKey MVFSCNAKGMPUKJ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12851
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/9316088; UBI_ID: UBI-012854
Temperature 308 °C