(2S,5R,6S)-(2E,4E)-Tricarbonyl[2-5.eta.-11-chloro-6-methyl-2,4-undecandien-6-ol]iron

SpectraBase Compound ID	BRi0A1T2IVq
InChI	InChI=1S/C12H21ClO.3CO.Fe/c1-3-4-6-9-12(2,14)10-7-5-8-11-13;3*1-2;/h3-4,6,9,14H,5,7-8,10-11H2,1-2H3;;;;/t12-;;;;/m1..../s1
InChIKey	DIFBMRKYJBLSLK-HHUWXINPSA-N Google Search
Mol Weight	356.63 g/mol
Molecular Formula	C15H21ClFeO4
Exact Mass	356.047773 g/mol

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SpectraBase Spectrum ID	3jAmwXykwe3
Name	(2S,5R,6S)-(2E,4E)-Tricarbonyl[2-5.eta.-11-chloro-6-methyl-2,4-undecandien-6-ol]iron
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H21ClFeO4
InChI	InChI=1S/C12H21ClO.3CO.Fe/c1-3-4-6-9-12(2,14)10-7-5-8-11-13;3*1-2;/h3-4,6,9,14H,5,7-8,10-11H2,1-2H3;;;;/t12-;;;;/m1..../s1
InChIKey	DIFBMRKYJBLSLK-HHUWXINPSA-N
Molecular Weight	356.627 g/mol
SMILES	O[C@]([C@]1([Fe]23([C@]1([C@@]3([C@]2(C)[H])[H])[H])(C#[O])(C#[O])C#[O])[H])(CCCCCCl)C
SPLASH	splash10-0w29-0090000000-2653e170ac18bd85764c
Source of Spectrum	E1-44-946-6
Synonyms	(2S,5S,6R)-(2E,4Z)-Tricarbonyl[2-5.eta.11-chloro-6-methyl-2,4-undecadien-6-ol]iron
Wiley ID	1553442