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5,7-Difluoro-kynurenic acid

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5,7-Difluoro-kynurenic acid
SpectraBase Compound ID 8Te0mbuuu1G
InChI InChI=1S/C10H5F2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
InChIKey RGGQVXFXJTYHNI-UHFFFAOYSA-N
Mol Weight 225.15 g/mol
Molecular Formula C10H5F2NO3
Exact Mass 225.023749 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFFmR5Q7NDC
Name 5,7-Difluoro-kynurenic acid
Comments VARIAN VXR-300 OR GEMINI-300 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H5F2NO3
InChI InChI=1S/C10H5F2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16)
InChIKey RGGQVXFXJTYHNI-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