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{4-formyl-5-hydroxy-2-[(1Z)-2-(5-sulfanyl-1H-1,2,4-triazol-3-yl)diazen-1-yl]phenoxy}manganio acetate hexahydrate
SpectraBase Compound ID 4UALTZCZCSd
InChI InChI=1S/C9H7N5O3S.C2H4O2.Mn.6H2O/c15-3-4-1-5(7(17)2-6(4)16)11-12-8-10-9(18)14-13-8;1-2(3)4;;;;;;;/h1-3,16-17H,(H2,10,13,14,18);1H3,(H,3,4);;6*1H2/q;;+2;;;;;;/p-2/b12-11-;;;;;;;;
InChIKey YSNBGUZSLUGYAP-LHRUQFQSSA-L
Mol Weight 486.311 g/mol
Molecular Formula C11H21MnN5O11S
Exact Mass 486.033871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1wrrAIOEG8
Name {4-formyl-5-hydroxy-2-[(1Z)-2-(5-sulfanyl-1H-1,2,4-triazol-3-yl)diazen-1-yl]phenoxy}manganio acetate hexahydrate
Appearance Solid
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Formula C11H21MnN5O11S
InChI InChI=1S/C9H7N5O3S.C2H4O2.Mn.6H2O/c15-3-4-1-5(7(17)2-6(4)16)11-12-8-10-9(18)14-13-8;1-2(3)4;;;;;;;/h1-3,16-17H,(H2,10,13,14,18);1H3,(H,3,4);;6*1H2/q;;+2;;;;;;/p-2/b12-11-;;;;;;;;
InChIKey YSNBGUZSLUGYAP-LHRUQFQSSA-L
Instrument Name Finnigan MAT 8222
Ionization Type EI
Literature Reference DOI 10.1002/aoc.5678
Molecular Weight 486.311 g/mol
SMILES O.O.O.O.O.[nH]1nc(nc1S)\N=N/c1cc(c(cc1O[Mn]OC(=O)C)O)C=O.O
SPLASH splash10-0pc1-9776600000-6226867a6e6da287c1cf
Source of Spectrum AOC-34-SM2-C1
Wiley ID 1839606