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(5-{[(acetyloxy)nickelio]oxy}-2,4-bis(1-{2-[(3-nitrophenyl)methylidene]hydrazin-1-ylidene}ethyl)phenoxy)nickelio acetate octahydrate
SpectraBase Compound ID Imk44oV1eBe
InChI InChI=1S/C24H20N6O6.2C2H4O2.2Ni.8O/c1-15(27-25-13-17-5-3-7-19(9-17)29(33)34)21-11-22(24(32)12-23(21)31)16(2)28-26-14-18-6-4-8-20(10-18)30(35)36;2*1-2(3)4;;;;;;;;;;/h3-14,31-32H,1-2H3;2*1H3,(H,3,4);;;;;;;;;;/q;;;2*+2;;;;;;;;/p-4
InChIKey NEHOSCCNIXGJBN-UHFFFAOYSA-J
Mol Weight 849.911 g/mol
Molecular Formula C28H24N6Ni2O18
Exact Mass 847.985392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGsk0JYjRwT
Name (5-{[(acetyloxy)nickelio]oxy}-2,4-bis(1-{2-[(3-nitrophenyl)methylidene]hydrazin-1-ylidene}ethyl)phenoxy)nickelio acetate octahydrate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40N6Ni2O18
InChI InChI=1S/C24H20N6O6.2C2H4O2.2Ni.8O/c1-15(27-25-13-17-5-3-7-19(9-17)29(33)34)21-11-22(24(32)12-23(21)31)16(2)28-26-14-18-6-4-8-20(10-18)30(35)36;2*1-2(3)4;;;;;;;;;;/h3-14,31-32H,1-2H3;2*1H3,(H,3,4);;;;;;;;;;/q;;;2*+2;;;;;;;;/p-4
InChIKey NEHOSCCNIXGJBN-UHFFFAOYSA-J
Instrument Name Shimadzu GCMSqp 1000 ex
Ionization Type EI
Literature Reference DOI 10.1002/aoc.6898
Molecular Weight 866.039 g/mol
SMILES O.C(O[Ni]Oc1cc(c(C(=NN=Cc2cccc(c2)[N+](=O)[O-])C)cc1C(C)=NN=Cc1cc(ccc1)[N+](=O)[O-])O[Ni]OC(C)=O)(C)=O.O.O.O.O.O.O.O
SPLASH splash10-02cu-4896364530-f038a793f7b016c2764b
Source of Spectrum AOC-36-11-2
Wiley ID 1880573