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N1,N3-DI-(PYRRENE-1-YL)-4,6-DINITROBENZENE-1,3-DIAMIDE

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N1,N3-DI-(PYRRENE-1-YL)-4,6-DINITROBENZENE-1,3-DIAMIDE
SpectraBase Compound ID EYPcrLwMAmD
InChI InChI=1S/C40H22N4O6/c45-39(41-31-17-13-25-9-7-21-3-1-5-23-11-15-27(31)37(25)35(21)23)29-19-30(34(44(49)50)20-33(29)43(47)48)40(46)42-32-18-14-26-10-8-22-4-2-6-24-12-16-28(32)38(26)36(22)24/h1-20H,(H,41,45)(H,42,46)
InChIKey JGSQTCAQNMQKGV-UHFFFAOYSA-N
Mol Weight 654.6 g/mol
Molecular Formula C40H22N4O6
Exact Mass 654.153934 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4jtXl7DVeOB
Name N1,N3-DI-(PYRRENE-1-YL)-4,6-DINITROBENZENE-1,3-DIAMIDE
Compound Number 10E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H22N4O6
InChI InChI=1S/C40H22N4O6/c45-39(41-31-17-13-25-9-7-21-3-1-5-23-11-15-27(31)37(25)35(21)23)29-19-30(34(44(49)50)20-33(29)43(47)48)40(46)42-32-18-14-26-10-8-22-4-2-6-24-12-16-28(32)38(26)36(22)24/h1-20H,(H,41,45)(H,42,46)
InChIKey JGSQTCAQNMQKGV-UHFFFAOYSA-N
Literature Reference Author M.HAVLIK,V.KRAL,B.DOLENSKY
Literature Reference Citation ORG.LETTERS,8,4867(2006)
Literature Reference DOI 10.1021/ol061913m
Molecular Weight 654.638 g/mol
Sample ID 60799
Solvent DMSO-D6