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Hexacarbonyl-.mu.[.eta.(3R,5S)-(+)-3,5-dimethyl-1-heptyn-3-ol]dicobalt
SpectraBase Compound ID KSyII7kXLNa
InChI InChI=1S/C9H16O.6CO.2Co/c1-5-8(3)7-9(4,10)6-2;6*1-2;;/h2,8,10H,5,7H2,1,3-4H3;;;;;;;;/t8-,9?;;;;;;;;/m0......../s1
InChIKey OEILOZQKLWJTKZ-NRDBUZSNSA-N
Mol Weight 426.15 g/mol
Molecular Formula C15H16Co2O7
Exact Mass 425.955991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 633JXx13F9
Name Hexacarbonyl-.mu.[.eta.(3R,5S)-(+)-3,5-dimethyl-1-heptyn-3-ol]dicobalt
Comments Less than 3 mono-isotopic peaks
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Formula C15H16Co2O7
InChI InChI=1S/C9H16O.6CO.2Co/c1-5-8(3)7-9(4,10)6-2;6*1-2;;/h2,8,10H,5,7H2,1,3-4H3;;;;;;;;/t8-,9?;;;;;;;;/m0......../s1
InChIKey OEILOZQKLWJTKZ-NRDBUZSNSA-N
Molecular Weight 426.152 g/mol
SMILES OC([C@]12[Co]3([Co]2(C#[O])(C#[O])(C#[O])[C@@]13[H])(C#[O])(C#[O])C#[O])(C[C@](CC)(C)[H])C
SPLASH splash10-0a4i-0090000000-e4971d966ebc36442049
Source of Spectrum SO-0-634-2
Wiley ID 1542388