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(5,8-.eta.-1,2,3,4-tetrahydro-9,10-diphenyl-1,4-methanoanthracene)tricarbonyliron complex
SpectraBase Compound ID 4pWq74F2llL
InChI InChI=1S/C27H24.3CO.Fe/c1-3-9-18(10-4-1)24-22-13-7-8-14-23(22)25(19-11-5-2-6-12-19)27-21-16-15-20(17-21)26(24)27;3*1-2;/h1-6,9-14,20-21H,7-8,15-17H2;;;;/t20-,21+;;;;
InChIKey LXIBKXFVLLUQDY-WKISXKBFSA-N
Mol Weight 488.36 g/mol
Molecular Formula C30H24FeO3
Exact Mass 488.107481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EIjOzP8Xqu5
Name (5,8-.eta.-1,2,3,4-tetrahydro-9,10-diphenyl-1,4-methanoanthracene)tricarbonyliron complex
Alternate Name(s) 15,15,15-tris(hydroxymethyl)-3,10-diphenyl-15-ferrapentacyclo[10.2.1.1(5,8).0(2,11).0(4,9)]hexadeca-2,4(9),10-triene
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Formula C30H24FeO3
InChI InChI=1S/C27H24.3CO.Fe/c1-3-9-18(10-4-1)24-22-13-7-8-14-23(22)25(19-11-5-2-6-12-19)27-21-16-15-20(17-21)26(24)27;3*1-2;/h1-6,9-14,20-21H,7-8,15-17H2;;;;/t20-,21+;;;;
InChIKey LXIBKXFVLLUQDY-WKISXKBFSA-N
Molecular Weight 488.364 g/mol
SMILES [C@@]12([Fe]([C@@](c3c(c4[C@@]5(CC[C@](c4c(c23)-c2ccccc2)(C5)[H])[H])-c2ccccc2)(CC1)[H])(C#[O])(C#[O])C#[O])[H]
SPLASH splash10-0udi-0010900000-6ddc581b2e328d271f60
Source of Spectrum KC-1991-266-11
Wiley ID 1396946