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methyl 2-{[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoyl]amino}benzoate
SpectraBase Compound ID B82DfsrLsI9
InChI InChI=1S/C13H11F6NO4/c1-24-10(22)7-4-2-3-5-8(7)20-9(21)6-11(23,12(14,15)16)13(17,18)19/h2-5,23H,6H2,1H3,(H,20,21)
InChIKey GIOMEWFTAGQTEM-UHFFFAOYSA-N
Mol Weight 359.22 g/mol
Molecular Formula C13H11F6NO4
Exact Mass 359.059227 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GOIzEbWquMw
Name methyl 2-{[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoyl]amino}benzoate
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/C13H11F6NO4/c1-24-10(22)7-4-2-3-5-8(7)20-9(21)6-11(23,12(14,15)16)13(17,18)19/h2-5,23H,6H2,1H3,(H,20,21)
InChIKey GIOMEWFTAGQTEM-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UZI_26187_9143
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/1021924; Labnumber: GLA0105; UZI_ID: UZI-009145
Temperature 300 °C