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QRFKNTVPWYMBTD-UHFFFAOYSA-N
SpectraBase Compound ID 5W8Xn3bay50
InChI InChI=1S/C8H7N.C6H3ClN2O4/c1-2-4-8-7(3-1)5-6-9-8;7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-6,9H;1-3H
InChIKey QRFKNTVPWYMBTD-UHFFFAOYSA-N
Mol Weight 319.7 g/mol
Molecular Formula C14H10ClN3O4
Exact Mass 319.035984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pPFzkHFvQV
Name QRFKNTVPWYMBTD-UHFFFAOYSA-N
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H10ClN3O4
InChI InChI=1S/C8H7N.C6H3ClN2O4/c1-2-4-8-7(3-1)5-6-9-8;7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-6,9H;1-3H
InChIKey QRFKNTVPWYMBTD-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 319.704 g/mol
Solvent SOLID-STATE
Source File Reference UWLU80138