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trans-.mu.-[(1RS,2RS,3RS,4SR,5SR,6RS,7RS,8SR)-C,5,6,C-.eta.:C,7,8,C-.eta.-(5,6,7,8-tetramethylidene(3-d)-bicyclo[2.2.2]oct-2-yl methanesulfonate)]bis(tricarbonyliron)
SpectraBase Compound ID IE6nYVEYQxQ
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/i6D;;;;;;;;/t6-,11-,12+,13+;;;;;;;;/m1........
InChIKey UPQTWJZZHAYHDN-ZVLWIWGUSA-N
Mol Weight 533.08 g/mol
Molecular Formula C19H152DFe2O9S
Exact Mass 532.927652 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cV4BaSc2X7
Name trans-.mu.-[(1RS,2RS,3RS,4SR,5SR,6RS,7RS,8SR)-C,5,6,C-.eta.:C,7,8,C-.eta.-(5,6,7,8-tetramethylidene(3-d)-bicyclo[2.2.2]oct-2-yl methanesulfonate)]bis(tricarbonyliron)
CAS Registry Number 91254-28-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15DFe2O9S
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/i6D;;;;;;;;/t6-,11-,12+,13+;;;;;;;;/m1........
InChIKey UPQTWJZZHAYHDN-ZVLWIWGUSA-N
Molecular Weight 533.085 g/mol
SMILES [C@@]123[Fe]4([C@]2([C@@]2([C@]56[Fe]7(C[C@@]67[C@]3([C@]([C@@]2([2D])[H])(OS(=O)(=O)C)[H])[H])(C5)(C#[O])(C#[O])C#[O])[H])C4)(C1)(C#[O])(C#[O])C#[O]
SPLASH splash10-001i-0009610000-61e741e3951731366e48
Source of Spectrum H-69-313-14
Synonyms (+)-trans-.mu.-[(1s,2s,3s,4r,5r,6s,7s,8r)-c,5,6,c-.eta.:c,7,8,c-.eta.-(5,6,7,8-tetramethylidene(3-d)-bicyclo[2.2.2]oct-2-yl)methanesulfonate]bis(tricarbonyliron) Bicyclo[2.2.2]octan-3-d-2-ol, 5,6,7,8-tetrakis(methylene)-, methanesulfonate, iron complex, (2S-cis)- Iron, hexacarbonyl[.mu.-[.eta.4:.eta.4-5,6,7,8-tetrakis(methylene)bicyclo[2.2.2]oct-3-d-2-yl methanesulfonate]]di-, stereoisomer
Wiley ID 1403531