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XLXATNOSFSIIEJ-UHFFFAOYSA-M
SpectraBase Compound ID 6yah8jhA6Qh
InChI InChI=1S/C9H9BN6.C8H9N.C7H6.BrH.W/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-6-4-3-5-7(2)8(6)9;1-7-5-3-2-4-6-7;;/h1-9H;3-5H,1-2H3;1-6H;1H;/q;;;;+1/p-1
InChIKey XLXATNOSFSIIEJ-UHFFFAOYSA-M
Mol Weight 685.1 g/mol
Molecular Formula C24H24BBrN7W
Exact Mass 684.087895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F2iELvASIya
Name XLXATNOSFSIIEJ-UHFFFAOYSA-M
Compound Number 1C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H24BBrN7W
InChI InChI=1S/C9H9BN6.C8H9N.C7H6.BrH.W/c1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-6-4-3-5-7(2)8(6)9;1-7-5-3-2-4-6-7;;/h1-9H;3-5H,1-2H3;1-6H;1H;/q;;;;+1/p-1
InChIKey XLXATNOSFSIIEJ-UHFFFAOYSA-M
Literature Reference Author S.AHN,A.MAYR
Literature Reference Citation J.AM.CHEM.SOC.,118,7408(1996)
Literature Reference DOI 10.1021/ja960438s
Molecular Weight 685.065 g/mol
Sample ID 36093
Solvent CD2Cl2