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KKGZZFSJGZLELI-UHFFFAOYSA-N
SpectraBase Compound ID H38WaDH18Ir
InChI InChI=1S/C16H11BrN4O/c17-9-5-7-10(8-6-9)21-12-4-2-1-3-11(12)14(22)13-15(18)19-20-16(13)21/h1-8H,(H3,18,19,20)
InChIKey KKGZZFSJGZLELI-UHFFFAOYSA-N
Mol Weight 355.2 g/mol
Molecular Formula C16H11BrN4O
Exact Mass 354.011624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F4su38P4pBr
Name KKGZZFSJGZLELI-UHFFFAOYSA-N
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H11BrN4O
InChI InChI=1S/C16H11BrN4O/c17-9-5-7-10(8-6-9)21-12-4-2-1-3-11(12)14(22)13-15(18)19-20-16(13)21/h1-8H,(H3,18,19,20)
InChIKey KKGZZFSJGZLELI-UHFFFAOYSA-N
Literature Reference Author J.N.DOMINGUEZ,J.E.CHARRIS,W.BASANTE,B.MENDEZ
Literature Reference Citation MAGN.RES.CHEM.,36,454(1998)
Literature Reference DOI 10.1002/(sici)1097-458x(199806)36:6<454::aid-omr249>3.3.co;2-m
Molecular Weight 355.194 g/mol
Solvent DMSO-D6
Source File Reference UWRU1126