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PYILDVFWRCAUDZ-NCELDCMTSA-N
SpectraBase Compound ID FKNuINor7W6
InChI InChI=1S/C21H15BrN4O/c22-17-11-7-10-16(14-17)21-23-20(26-27-21)19(15-8-3-1-4-9-15)25-24-18-12-5-2-6-13-18/h1-14,24H/b25-19+
InChIKey PYILDVFWRCAUDZ-NCELDCMTSA-N
Mol Weight 419.28 g/mol
Molecular Formula C21H15BrN4O
Exact Mass 418.042924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GbUdggEU2x3
Name PYILDVFWRCAUDZ-NCELDCMTSA-N
Compound Number 2M-BR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H15BrN4O
InChI InChI=1S/C21H15BrN4O/c22-17-11-7-10-16(14-17)21-23-20(26-27-21)19(15-8-3-1-4-9-15)25-24-18-12-5-2-6-13-18/h1-14,24H/b25-19+
InChIKey PYILDVFWRCAUDZ-NCELDCMTSA-N
Literature Reference Author E.MEZZINA,D.SPINELLI,L.LAMARTINA,F.D.ANNA,V.FRENNA,G.MACALUS O
Literature Reference Citation EUR.J.ORG.CHEM.,3980(2005)
Molecular Weight 419.280 g/mol
Sample ID 30467
Solvent CDCl3