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Calcium, bis(2,2,6,6-tetramethylheptane-3,5-dionato-) (trimer)

View entire compound with spectra: 1 MS (GC)

Calcium, bis(2,2,6,6-tetramethylheptane-3,5-dionato-) (trimer)
SpectraBase Compound ID 2Gk4uF6P96h
InChI InChI=1S/6C11H20O2.3Ca/c6*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h6*7,12H,1-6H3;;;/q;;;;;;3*+2/p-6/b6*8-7-;;;
InChIKey GROMKESVAYWYTG-NWOIMMHTSA-H
Mol Weight 1219.9 g/mol
Molecular Formula C66H114Ca3O12
Exact Mass 1218.718802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eFTgFCx5cY
Name Calcium, bis(2,2,6,6-tetramethylheptane-3,5-dionato-) (trimer)
Alternate Name(s) Calcium, bis(2,2,6,6-tetramethylheptan-3,5-dionato) (trimer) Tris(2,4,8,10-tetra-tert-butyl-1,5,7,11-tetraoxa-6-calcaspiro[5.5]undeca-1,3,7,9-tetraene)
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Formula C66H114Ca3O12
InChI InChI=1S/6C11H20O2.3Ca/c6*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h6*7,12H,1-6H3;;;/q;;;;;;3*+2/p-6/b6*8-7-;;;
InChIKey GROMKESVAYWYTG-NWOIMMHTSA-H
Molecular Weight 1219.861 g/mol
SMILES C1(=[O][Ca]2(OC(=C1)C(C)(C)C)[O]=C(C(C)(C)C)C=C(O2)C(C)(C)C)C(C)(C)C.C1(=[O][Ca]2(OC(=C1)C(C)(C)C)[O]=C(C(C)(C)C)C=C(O2)C(C)(C)C)C(C)(C)C.C1(=[O][Ca]2(OC(=C1)C(C)(C)C)[O]=C(C(C)(C)C)C=C(O2)C(C)(C)C)C(C)(C)C
SPLASH splash10-00ba-2165109000-86cef44f638cb6b0670c
Wiley ID 1493667