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IMVYASMPVTZKTO-FRHYWYHZSA-N

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IMVYASMPVTZKTO-FRHYWYHZSA-N
SpectraBase Compound ID KLWbYDccWYN
InChI InChI=1S/C39H18N12/c1-4-16-31(17-5-1)28-40-49-37-25-13-10-23-35-39(51(47-44-35)42-30-33-20-8-3-9-21-33)27-15-12-24-36-38(26-14-11-22-34(37)43-46-49)50(48-45-36)41-29-32-18-6-2-7-19-32/h1-9,16-21,28-30H/b40-28+,41-29+,42-30+
InChIKey IMVYASMPVTZKTO-FRHYWYHZSA-N
Mol Weight 654.7 g/mol
Molecular Formula C39H18N12
Exact Mass 654.177739 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AivIhr2KpFk
Name IMVYASMPVTZKTO-FRHYWYHZSA-N
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H18N12
InChI InChI=1S/C39H18N12/c1-4-16-31(17-5-1)28-40-49-37-25-13-10-23-35-39(51(47-44-35)42-30-33-20-8-3-9-21-33)27-15-12-24-36-38(26-14-11-22-34(37)43-46-49)50(48-45-36)41-29-32-18-6-2-7-19-32/h1-9,16-21,28-30H/b40-28+,41-29+,42-30+
InChIKey IMVYASMPVTZKTO-FRHYWYHZSA-N
Literature Reference Author G.A.ADAMSON,C.W.REES
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1535(1996)
Literature Reference DOI 10.1039/p19960001535
Molecular Weight 654.652 g/mol
Solvent CDCl3
Source File Reference UWCP8509