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dichloroniobium; ethanol; (Z)-4-hydroxypent-3-en-2-one
SpectraBase Compound ID E19ui8EqXjc
InChI InChI=1S/C5H8O2.2C2H6O.2ClH.Nb/c1-4(6)3-5(2)7;2*1-2-3;;;/h3,6H,1-2H3;2*3H,2H2,1H3;2*1H;/q;;;;;+2/p-2/b4-3-;;;;;
InChIKey WAFIORZRROSJLI-GLUPTGNJSA-L
Mol Weight 356.07 g/mol
Molecular Formula C9H20Cl2NbO4
Exact Mass 354.980235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2ycycvX10q
Name dichloroniobium; ethanol; (Z)-4-hydroxypent-3-en-2-one
Alternate Name(s) dichloroniobium;ethanol;(Z)-4-hydroxy-3-penten-2-one bis(chloranyl)niobium;ethanol;(Z)-4-oxidanylpent-3-en-2-one
CAS Registry Number 17035-43-7
Comments Note: The molecular formula of the structure shown is C9H20Cl2NbO4 - which differs from the formula reported for the mass spectrum (C9H17Cl2NbO4)
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Formula C9H17Cl2NbO4
InChI InChI=1S/C5H8O2.2C2H6O.2ClH.Nb/c1-4(6)3-5(2)7;2*1-2-3;;;/h3,6H,1-2H3;2*3H,2H2,1H3;2*1H;/q;;;;;+2/p-2/b4-3-;;;;;
InChIKey WAFIORZRROSJLI-GLUPTGNJSA-L
Molecular Weight 356.067 g/mol
SMILES O\C(C)=C/C(C)=O.OCC.OCC.Cl[Nb]Cl
SPLASH splash10-00kf-6297000000-d1a83abeef2b5d172a69
Source of Spectrum O7-0-1357-0
Wiley ID 1342837