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XXPPTIITVBRZAB-UHFFFAOYSA-N
SpectraBase Compound ID 81ofXb7ZMGo
InChI InChI=1S/C18H11ClN6/c19-13-4-6-14(7-5-13)25-18-15(10-22-25)16(21)23-17(24-18)12-3-1-2-11(8-12)9-20/h1-8,10H,(H2,21,23,24)
InChIKey XXPPTIITVBRZAB-UHFFFAOYSA-N
Mol Weight 346.78 g/mol
Molecular Formula C18H11ClN6
Exact Mass 346.073372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IRJUZSard7d
Name XXPPTIITVBRZAB-UHFFFAOYSA-N
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H11ClN6
InChI InChI=1S/C18H11ClN6/c19-13-4-6-14(7-5-13)25-18-15(10-22-25)16(21)23-17(24-18)12-3-1-2-11(8-12)9-20/h1-8,10H,(H2,21,23,24)
InChIKey XXPPTIITVBRZAB-UHFFFAOYSA-N
Literature Reference Author L.M.RODRIGUES,A.SIVASUBRAMANIAN,E.M.PINTO,A.M.F.OLIVEIRA-CAM POS,J.A.SEIJAS,M.P.V
Literature Reference Citation MAGN.RES.CHEM.,47,84(2009)
Literature Reference DOI 10.1002/mrc.2329
Molecular Weight 346.779 g/mol
Solvent DMSO-D6
Source File Reference UWLU79358