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.mu.-[.eta(5).-2,3-Dihydro-4-isopropenyl-5-isopropyl-1,2,3-trimethyl-1,3-diborolyl ]-bis{ [.eta(5).-cyclopentadienyl ] cobalt }
SpectraBase Compound ID Be2OT8wvMGY
InChI InChI=1S/C12H21B2.2C5H5.2Co/c1-8(2)11-12(9(3)4)14(7)10(5)13(11)6;2*1-2-4-5-3-1;;/h9H,1H2,2-7H3;2*1-5H;;
InChIKey DTRNNHALVVKWBW-UHFFFAOYSA-N
Mol Weight 435.0 g/mol
Molecular Formula C22H31B2Co2
Exact Mass 435.127574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWqcqUz68ex
Name .mu.-[.eta(5).-2,3-Dihydro-4-isopropenyl-5-isopropyl-1,2,3-trimethyl-1,3-diborolyl ]-bis{ [.eta(5).-cyclopentadienyl ] cobalt }
Alternate Name(s) 1-{1-cobalta-1,1'-spirobi[pentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexane]-1-yl}-2,3,4-trimethyl-6-(prop-1-en-2-yl)-5-(propan-2-yl)-2,4-dibora-1-cobaltapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexane
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31B2Co2
InChI InChI=1S/C12H21B2.2C5H5.2Co/c1-8(2)11-12(9(3)4)14(7)10(5)13(11)6;2*1-2-4-5-3-1;;/h9H,1H2,2-7H3;2*1-5H;;
InChIKey DTRNNHALVVKWBW-UHFFFAOYSA-N
Molecular Weight 434.976 g/mol
SMILES [C@]12([Co]345([Co]6789%10%11%12%13([C@]%14([C@@]%13([C@@]%10([C@@]9([C@@]6%14[H])[H])[H])[H])[H])[C@@]6([C@]%12([C@]%11([C@]7([C@]86[H])[H])[H])[H])[H])[B]1(C)[C@@]4(C(C)C)[C@@]3(C(=C)C)[B]25C)C
SPLASH splash10-000i-0100900000-6822cdced8ba2cde0a2f
Source of Spectrum K-126-2201-7
Wiley ID 1383229