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MAJOR_ISOMER

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MAJOR_ISOMER
SpectraBase Compound ID 6lqEU6vpXix
InChI InChI=1S/C12H14F3N3O2/c1-10(8-5-3-2-4-6-8)7-11(20,12(13,14)15)18(17-10)9(16)19/h2-6,17,20H,7H2,1H3,(H2,16,19)
InChIKey HCPUSMUSJADKFF-UHFFFAOYSA-N
Mol Weight 289.26 g/mol
Molecular Formula C12H14F3N3O2
Exact Mass 289.103811 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KgyOdBH3mps
Name MINOR_ISOMER
Compound Number XIV
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14F3N3O2
InChI InChI=1S/C12H14F3N3O2/c1-10(8-5-3-2-4-6-8)7-11(20,12(13,14)15)18(17-10)9(16)19/h2-6,17,20H,7H2,1H3,(H2,16,19)
InChIKey HCPUSMUSJADKFF-UHFFFAOYSA-N
Literature Reference Author A.V.SANIN,V.G.NENAIDENKO,V.S.KUZMIN,E.S.BALENKOVA
Literature Reference Citation CHEM.HET.COMP.,34,558(1998)
Literature Reference DOI 10.1007/bf02290939
Molecular Weight 289.257 g/mol
Solvent CDCl3_OR_CD3CN_OR_CD3OD_OR_DMSO-
Source File Reference UWMZ15162