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Propanoic acid; zinc; hydrate

View entire compound with spectra: 1 MS (GC)

Propanoic acid; zinc; hydrate
SpectraBase Compound ID HkrsbznNaXR
InChI InChI=1S/6C3H6O2.O.4Zn/c6*1-2-3(4)5;;;;;/h6*2H2,1H3,(H,4,5);;;;;
InChIKey IZSWYITVNGZLQR-UHFFFAOYSA-N
Mol Weight 722.0 g/mol
Molecular Formula C18H36O13Zn4
Exact Mass 715.932159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AroEM6sakIH
Name Propanoic acid; zinc; hydrate
Alternate Name(s) Propanoic acid;zinc;hydrate
CAS Registry Number 56377-86-7
Comments Note: The molecular formula of the structure shown is C18H38O13Zn4 - which differs from the formula reported for the mass spectrum (C18H30O13Zn4)
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Formula C18H30O13Zn4
InChI InChI=1S/6C3H6O2.O.4Zn/c6*1-2-3(4)5;;;;;/h6*2H2,1H3,(H,4,5);;;;;
InChIKey IZSWYITVNGZLQR-UHFFFAOYSA-N
Molecular Weight 724.017 g/mol
SMILES OC(CC)=O.O.[Zn].[Zn].[Zn].[Zn].OC(CC)=O.OC(CC)=O.OC(CC)=O.OC(CC)=O.OC(CC)=O
SPLASH splash10-0569-9011114000-df6aa62ff45466b4f84d
Source of Spectrum EP-4139-0-0
Wiley ID 1415326