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RPTZYZOUDSLTMT-UHFFFAOYSA-N
SpectraBase Compound ID C7AOpTMJpiz
InChI InChI=1S/C12H9N.C6H2ClN3O6/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-8,13H;1-2H
InChIKey RPTZYZOUDSLTMT-UHFFFAOYSA-N
Mol Weight 414.76 g/mol
Molecular Formula C18H11ClN4O6
Exact Mass 414.036712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G1iXGcYmuaW
Name RPTZYZOUDSLTMT-UHFFFAOYSA-N
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H11ClN4O6
InChI InChI=1S/C12H9N.C6H2ClN3O6/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-8,13H;1-2H
InChIKey RPTZYZOUDSLTMT-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 414.762 g/mol
Solvent SOLID-STATE
Source File Reference UWLU80148