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trans-.mu.-[(1RS,2SR,4SR,5SR,6RS,7RS,8SR)-C,5,6,C-.eta.:C,7,8,C-.eta.-(5,6,7,8-Tetramethylidenebicyclo[2.2.2]oct-2-yl methanesulfonate)]bis(tricarbonyliron)

View entire compound with spectra: 1 MS (GC)

trans-.mu.-[(1RS,2SR,4SR,5SR,6RS,7RS,8SR)-C,5,6,C-.eta.:C,7,8,C-.eta.-(5,6,7,8-Tetramethylidenebicyclo[2.2.2]oct-2-yl methanesulfonate)]bis(tricarbonyliron)
SpectraBase Compound ID 6MdpqfNcCct
InChI InChI=1S/C13H16O3S.6CO.2Fe/c1-7-9(3)13-10(4)8(2)11(7)6-12(13)16-17(5,14)15;6*1-2;;/h11-13H,1-4,6H2,5H3;;;;;;;;/t11-,12-,13+;;;;;;;;/m0......../s1
InChIKey UPQTWJZZHAYHDN-UHFFFAOYSA-N
Mol Weight 532.08 g/mol
Molecular Formula C19H16Fe2O9S
Exact Mass 531.921375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDCKiMSrJvE
Name trans-.mu.-[(1RS,2SR,4SR,5SR,6RS,7RS,8SR)-C,5,6,C-.eta.:C,7,8,C-.eta.-(5,6,7,8-Tetramethylidenebicyclo[2.2.2]oct-2-yl methanesulfonate)]bis(tricarbonyliron)
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16Fe2O9S
InChI InChI=1S/C13H16O3S.6CO.2Fe/c1-7-9(3)13-10(4)8(2)11(7)6-12(13)16-17(5,14)15;6*1-2;;/h11-13H,1-4,6H2,5H3;;;;;;;;/t11-,12-,13+;;;;;;;;/m0......../s1
InChIKey UPQTWJZZHAYHDN-UHFFFAOYSA-N
Molecular Weight 532.078 g/mol
SMILES [C@@]123[Fe]4([C@]2([C@@]2([C@]56[Fe]7(C[C@@]67[C@]3([C@](C2)(OS(=O)(=O)C)[H])[H])(C5)(C#[O])(C#[O])C#[O])[H])C4)(C1)(C#[O])(C#[O])C#[O]
SPLASH splash10-03di-0009100000-b4d653b02a935d902d3e
Source of Spectrum H-70-1089-23
Wiley ID 1403530