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Iron, dicarbonyl[[(O,2,3,4-.eta.)-1-(1,1-dimethylethyl)-2-oxo-3-pentenyl]diethyl phosphite-P]-, stereoisomer
SpectraBase Compound ID EteSWYn3QGt
InChI InChI=1S/C9H15O.C4H10O3P.2CO.Fe/c1-5-6-8(10)7-9(2,3)4;1-3-6-8(5)7-4-2;2*1-2;/h5-7H,1-4H3;3-4H2,1-2H3;;;/q;+1;;;-1
InChIKey NEWARHCXVCGGFR-UHFFFAOYSA-N
Mol Weight 388.18 g/mol
Molecular Formula C15H25FeO6P
Exact Mass 388.073812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FOK3WZ1a1m
Name Iron, dicarbonyl[[(O,2,3,4-.eta.)-1-(1,1-dimethylethyl)-2-oxo-3-pentenyl]diethyl phosphite-P]-, stereoisomer
CAS Registry Number 114818-60-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H25FeO6P
InChI InChI=1S/C9H15O.C4H10O3P.2CO.Fe/c1-5-6-8(10)7-9(2,3)4;1-3-6-8(5)7-4-2;2*1-2;/h5-7H,1-4H3;3-4H2,1-2H3;;;/q;+1;;;-1
InChIKey NEWARHCXVCGGFR-UHFFFAOYSA-N
Molecular Weight 388.178 g/mol
SMILES [C@]12([Fe]([C@@]2(C)[H])([C@](C1=O)(C(C)(C)C)[H])(P(=O)(OCC)OCC)(C#[O])C#[O])[H]
SPLASH splash10-000i-0092000000-3c5a83793417c5cd70bf
Source of Spectrum C-110-4659-0
Synonyms Diethyl[2-tert-butyl-1,1-bis(hydroxymethyl)-5-methyl-3-oxo-1-ferrabicyclo[2.1.0]pentan-1-yl]phosphonate Phosphorous acid, 1-(1,1-dimethylethyl)-2-oxo-4-pentenyl diethyl ester, iron complex, (E)-
Wiley ID 1363592