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IEUJWRHDGMLTGD-UHFFFAOYSA-N
SpectraBase Compound ID IjfH70OxFN6
InChI InChI=1S/C18H11BrN6/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 IEUJWRHDGMLTGD-UHFFFAOYSA-N
Mol Weight 391.23 g/mol
Molecular Formula C18H11BrN6
Exact Mass 390.022857 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AyQH0wrNooh
Name IEUJWRHDGMLTGD-UHFFFAOYSA-N
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H11BrN6
InChI InChI=1S/C18H11BrN6/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 IEUJWRHDGMLTGD-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 391.230 g/mol
Solvent DMSO-D6
Source File Reference UWLU79359