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6,6'',6'''':6',6''',6'''''-BIS-[NITRILOTRIS-(METHYLENE)]-4,4'-DINITROTRIS-(2,2'-BIPYRIDINE)
SpectraBase Compound ID HzwFP8MY4lP
InChI InChI=1S/C36H28N10O4/c47-45(48)29-13-27-21-43-17-23-5-1-9-31(37-23)32-10-2-6-24(38-32)19-44(22-28-14-30(46(49)50)16-36(42-28)35(15-29)41-27)20-26-8-4-12-34(40-26)33-11-3-7-25(18-43)39-33/h1-16H,17-22H2
InChIKey PZMCOBHJTGEPPI-UHFFFAOYSA-N
Mol Weight 664.7 g/mol
Molecular Formula C36H28N10O4
Exact Mass 664.229499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3eGp8E4yJX
Name 6,6'',6'''':6',6''',6'''''-BIS-[NITRILOTRIS-(METHYLENE)]-4,4'-DINITROTRIS-(2,2'-BIPYRIDINE)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H28N10O4
InChI InChI=1S/C36H28N10O4/c47-45(48)29-13-27-21-43-17-23-5-1-9-31(37-23)32-10-2-6-24(38-32)19-44(22-28-14-30(46(49)50)16-36(42-28)35(15-29)41-27)20-26-8-4-12-34(40-26)33-11-3-7-25(18-43)39-33/h1-16H,17-22H2
InChIKey PZMCOBHJTGEPPI-UHFFFAOYSA-N
Literature Reference Author J.M.LEHN,J.B.REGNOUFDEVAINS
Literature Reference Citation HELV.CHIM.ACTA,75,1221(1992)
Literature Reference DOI 10.1002/hlca.19920750422
Molecular Weight 664.683 g/mol
Solvent CDCl3
Source File Reference UWCS7440