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5-Chloro-7-fluoro-kynurenic acid

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5-Chloro-7-fluoro-kynurenic acid
SpectraBase Compound ID G07TM7qDuJF
InChI InChI=1S/C10H5ClFNO3/c11-5-1-4(12)2-6-9(5)8(14)3-7(13-6)10(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKey NWYPHBKELFNMEH-UHFFFAOYSA-N
Mol Weight 241.61 g/mol
Molecular Formula C10H5ClFNO3
Exact Mass 240.994199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KxMHK7uHuw
Name 5-Chloro-7-fluoro-kynurenic acid
Comments VARIAN VXR-300 OR GEMINI-300 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H5ClFNO3
InChI InChI=1S/C10H5ClFNO3/c11-5-1-4(12)2-6-9(5)8(14)3-7(13-6)10(15)16/h1-3H,(H,13,14)(H,15,16)
InChIKey NWYPHBKELFNMEH-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference E.W. Huber, D.M. Stemerick, D.M. Cousino, Magn. Res. Chem. 29, 859 (1991).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6