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Propane-1,2-diol bis(cyclopentadiene)ferrocenboronate-1,2-

View entire compound with spectra: 1 MS (GC)

Propane-1,2-diol bis(cyclopentadiene)ferrocenboronate-1,2-
SpectraBase Compound ID 7VBRCKqDiPh
InChI InChI=1S/2C5H5.C3H5BO2.Fe/c2*1-2-4-5-3-1;1-2-5-4-6-3-1;/h2*1-5H;1-2,4H,3H2;
InChIKey FCPYOLTVOPSXER-UHFFFAOYSA-N
Mol Weight 269.9 g/mol
Molecular Formula C13H15BFeO2
Exact Mass 270.051446 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ex1HXZW7epg
Name Propane-1,2-diol bis(cyclopentadiene)ferrocenboronate-1,2-
Alternate Name(s) Spiro[2,4-dioxa-3-bora-7-ferrabicyclo[4.1.0]heptane-7,1':1,1''-bis([1]ferrapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexane)]
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Formula C13H15BFeO2
InChI InChI=1S/2C5H5.C3H5BO2.Fe/c2*1-2-4-5-3-1;1-2-5-4-6-3-1;/h2*1-5H;1-2,4H,3H2;
InChIKey FCPYOLTVOPSXER-UHFFFAOYSA-N
Molecular Weight 269.916 g/mol
SMILES B1OC[C@]2([Fe]3456789%10([C@]2(O1)[H])([C@]1([C@@]3([C@@]4([C@@]5([C@@]61[H])[H])[H])[H])[H])[C@@]1([C@]8([C@]9([C@]7([C@]%101[H])[H])[H])[H])[H])[H]
SPLASH splash10-044r-0690000000-b7cfd706ccd29e7a18b5
Source of Spectrum JC-399-210-1
Wiley ID 1273819