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Decahydro-3,7:24,28-dimetheno-8,11,14,17,20,23,1,30-benzohexaoxadiaza-cyclodotriacontine-35,36-diolato /N1,N30,O35,O36/N

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Decahydro-3,7:24,28-dimetheno-8,11,14,17,20,23,1,30-benzohexaoxadiaza-cyclodotriacontine-35,36-diolato /N1,N30,O35,O36/N
SpectraBase Compound ID 2stNlXhHHuy
InChI InChI=1S/C30H34N2O8.Ni/c33-29-23-5-3-9-27(29)39-19-17-37-15-13-35-11-12-36-14-16-38-18-20-40-28-10-4-6-24(30(28)34)22-32-26-8-2-1-7-25(26)31-21-23;/h1-10,21-22,33-34H,11-20H2;/q;+2/p-2
InChIKey AAKLWJODRBISLB-UHFFFAOYSA-L
Mol Weight 607.3 g/mol
Molecular Formula C30H32N2NiO8
Exact Mass 606.151208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I62gPasDHfk
Name Decahydro-3,7:24,28-dimetheno-8,11,14,17,20,23,1,30-benzohexaoxadiaza-cyclodotriacontine-35,36-diolato /N1,N30,O35,O36/N
Comments 9,10,12,13,15,16,18,19,21,22-DECAHYDRO
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C30H32N2NiO8
InChI InChI=1S/C30H34N2O8.Ni/c33-29-23-5-3-9-27(29)39-19-17-37-15-13-35-11-12-36-14-16-38-18-20-40-28-10-4-6-24(30(28)34)22-32-26-8-2-1-7-25(26)31-21-23;/h1-10,21-22,33-34H,11-20H2;/q;+2/p-2
InChIKey AAKLWJODRBISLB-UHFFFAOYSA-L
Instrument Name SF = 200 MHz
Literature Reference C.J. Van Staveren, J. Van Eerden, J. Am. Chem. Soc. 110, 4994 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6