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QTQFISAUKMLVSL-BMSJAHLVSA-N
SpectraBase Compound ID GOlAaScCObj
InChI InChI=1S/C9H10F3N3O2/c1-3-15-5-14-8(17-2,9(10,11)12)6(4-13)7(15)16/h5-6H,3H2,1-2H3/i2D3
InChIKey QTQFISAUKMLVSL-BMSJAHLVSA-N
Mol Weight 252.21 g/mol
Molecular Formula C9H72H3F3N3O2
Exact Mass 252.091341 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gQiKGqbBIk
Name QTQFISAUKMLVSL-BMSJAHLVSA-N
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H72H3F3N3O2
InChI InChI=1S/C9H10F3N3O2/c1-3-15-5-14-8(17-2,9(10,11)12)6(4-13)7(15)16/h5-6H,3H2,1-2H3/i2D3
InChIKey QTQFISAUKMLVSL-BMSJAHLVSA-N
Literature Reference Author L.F.LEE,Y.L.SING
Literature Reference Citation J.ORG.CHEM.,55,380(1990)
Literature Reference DOI 10.1021/jo00288a075
Molecular Weight 252.211 g/mol
Solvent CDCl3
Source File Reference UWED21179