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{4-amino-2-carboxy-6-[(1E)-2-(pyrimidin-2-yl)diazen-1-yl]phenoxy}(chloro)nickel dihydrate
SpectraBase Compound ID AMDq1uCPLXr
InChI InChI=1S/C11H9N5O3.ClH.Ni.2H2O/c12-6-4-7(10(18)19)9(17)8(5-6)15-16-11-13-2-1-3-14-11;;;;/h1-5,17H,12H2,(H,18,19);1H;;2*1H2/q;;+2;;/p-2/b16-15+;;;;
InChIKey RKPYIODHCGGSJG-JEEAYVPESA-L
Mol Weight 388.393 g/mol
Molecular Formula C11H12ClN5NiO5
Exact Mass 386.988038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 11mYgdOebEp
Name {4-amino-2-carboxy-6-[(1E)-2-(pyrimidin-2-yl)diazen-1-yl]phenoxy}(chloro)nickel dihydrate
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12ClN5NiO5
InChI InChI=1S/C11H9N5O3.ClH.Ni.2H2O/c12-6-4-7(10(18)19)9(17)8(5-6)15-16-11-13-2-1-3-14-11;;;;/h1-5,17H,12H2,(H,18,19);1H;;2*1H2/q;;+2;;/p-2/b16-15+;;;;
InChIKey RKPYIODHCGGSJG-JEEAYVPESA-L
Instrument Name Finnigan MAT 8222
Ionization Type EI
Literature Reference DOI 10.1002/aoc.6290
Molecular Weight 388.393 g/mol
SMILES Nc1cc(C(O)=O)c(c(c1)\N=N\c1ncccn1)O[Ni]Cl.O.O
SPLASH splash10-002u-2945000000-528300116b116e4ef04d
Source of Spectrum AOC-35-SM4-Ni2+ complex
Wiley ID 1868677