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MAJOR_ISOMER

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MAJOR_ISOMER
SpectraBase Compound ID 3pPNiBTaWgs
InChI InChI=1S/C5H7FN2O2/c1-7-2-4(6)5(10)8-3-9/h2-3,7H,1H3,(H,8,9,10)/b4-2+
InChIKey SMFWAFVHMLHAPS-DUXPYHPUSA-N
Mol Weight 146.12 g/mol
Molecular Formula C5H7FN2O2
Exact Mass 146.049156 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 194t3hMljuV
Name MAJOR_ISOMER
Compound Number IX-B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H7FN2O2
InChI InChI=1S/C5H7FN2O2/c1-7-2-4(6)5(10)8-3-9/h2-3,7H,1H3,(H,8,9,10)/b4-2+
InChIKey SMFWAFVHMLHAPS-DUXPYHPUSA-N
Literature Reference Author G.M.KHEIFETS,V.A.GINDIN
Literature Reference Citation RUSS.J.ORG.CHEM.,40,560(2004)
Literature Reference DOI 10.1023/B:RUJO.0000036080.69879.b2
Molecular Weight 146.121 g/mol
Solvent DMSO-D6:D2O=96:4
Source File Reference UWMZ16762