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dichlorocobalt phenyl({[(Z)-(1H-1,2,4-triazol-3-yl)thio(carbonoimidyl)]amino})methanone trihydrate
SpectraBase Compound ID LRkDTgHCfaN
InChI InChI=1S/C10H9N5OS.2ClH.Co.3H2O/c16-8(7-4-2-1-3-5-7)13-10(17)14-9-11-6-12-15-9;;;;;;/h1-6H,(H3,11,12,13,14,15,16,17);2*1H;;3*1H2/q;;;+2;;;/p-2
InChIKey DMUHBPVCVPTRHL-UHFFFAOYSA-L
Mol Weight 431.16 g/mol
Molecular Formula C10H15Cl2CoN5O4S
Exact Mass 429.955375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3VNUFw7sAj9
Name dichlorocobalt phenyl({[(Z)-(1H-1,2,4-triazol-3-yl)thio(carbonoimidyl)]amino})methanone trihydrate
Appearance Dark green
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Formula C10H15Cl2CoN5O4S
InChI InChI=1S/C10H9N5OS.2ClH.Co.3H2O/c16-8(7-4-2-1-3-5-7)13-10(17)14-9-11-6-12-15-9;;;;;;/h1-6H,(H3,11,12,13,14,15,16,17);2*1H;;3*1H2/q;;;+2;;;/p-2
InChIKey DMUHBPVCVPTRHL-UHFFFAOYSA-L
Instrument Name Varian Mat-311
Ionization Type EI
Literature Reference DOI 10.1002/aoc.6037
Molecular Weight 431.160 g/mol
SMILES O.N(C(c1ccccc1)=O)\C(=N\c1nc[nH]n1)S.Cl[Co]Cl.O.O
SPLASH splash10-002f-9000000000-63e6b262a474e1e0fb13
Source of Spectrum AOC-35-SM7-Fig. S4
Wiley ID 1855781