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YAFLOZQBTMGPNX-UHFFFAOYSA-N
SpectraBase Compound ID BmcA9tlaPM7
InChI InChI=1S/2C8H7N.2C6H3FN2O4/c2*1-2-4-8-7(3-1)5-6-9-8;2*7-5-2-1-4(8(10)11)3-6(5)9(12)13/h2*1-6,9H;2*1-3H
InChIKey YAFLOZQBTMGPNX-UHFFFAOYSA-N
Mol Weight 606.5 g/mol
Molecular Formula C28H20F2N6O8
Exact Mass 606.131068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CwMR6ZrBuuZ
Name YAFLOZQBTMGPNX-UHFFFAOYSA-N
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H20F2N6O8
InChI InChI=1S/2C8H7N.2C6H3FN2O4/c2*1-2-4-8-7(3-1)5-6-9-8;2*7-5-2-1-4(8(10)11)3-6(5)9(12)13/h2*1-6,9H;2*1-3H
InChIKey YAFLOZQBTMGPNX-UHFFFAOYSA-N
Literature Reference Author C.LOPEZ,R.M.CLARAMUNT,E.PINILLA,M.R.TORRES,I.ALKORTA,J.ELGUE RO
Literature Reference Citation MAGN.RES.CHEM.,47,917(2009)
Literature Reference DOI 10.1002/mrc.2483
Molecular Weight 606.499 g/mol
Solvent SOLID-STATE
Source File Reference UWLU80139