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5-oxo-5-[3-(trifluoromethyl)anilino]pentanoic acid

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5-oxo-5-[3-(trifluoromethyl)anilino]pentanoic acid
SpectraBase Compound ID 8mrcwnkwl3w
InChI InChI=1S/C12H12F3NO3/c13-12(14,15)8-3-1-4-9(7-8)16-10(17)5-2-6-11(18)19/h1,3-4,7H,2,5-6H2,(H,16,17)(H,18,19)
InChIKey XKRPIGGDIHPQDK-UHFFFAOYSA-N
Mol Weight 275.23 g/mol
Molecular Formula C12H12F3NO3
Exact Mass 275.076928 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FhPn0ETfsJG
Name 5-oxo-5-[3-(trifluoromethyl)anilino]pentanoic acid
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/C12H12F3NO3/c13-12(14,15)8-3-1-4-9(7-8)16-10(17)5-2-6-11(18)19/h1,3-4,7H,2,5-6H2,(H,16,17)(H,18,19)
InChIKey XKRPIGGDIHPQDK-UHFFFAOYSA-N
NMR Offset 13.9821
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_2938
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: ZI/1068758; Labnumber: MSC0040339; IOH_ID: IOH-002939
Temperature 297 °C