Iron, [(1,2,3,4-.eta.)-5-butyl-1,3-cycloheptadiene]dicarbonyl(triphenyl phosphite-P)-, stereoisomer

SpectraBase Compound ID	5lkC43bg0W7
InChI	InChI=1S/C18H15O3P.C11H18.2CO.Fe/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;1-2-3-8-11-9-6-4-5-7-10-11;2*1-2;/h1-15H;4-6,9,11H,2-3,7-8,10H2,1H3;;;
InChIKey	QYKNYKBRMAYJPR-UHFFFAOYSA-N Google Search
Mol Weight	572.4 g/mol
Molecular Formula	C31H33FeO5P
Exact Mass	572.141497 g/mol

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SpectraBase Spectrum ID	JkNKKnGgixc
Name	Iron, [(1,2,3,4-.eta.)-5-butyl-1,3-cycloheptadiene]dicarbonyl(triphenyl phosphite-P)-, stereoisomer
Alternate Name(s)	1,3-Cycloheptadiene, 5-butyl-, iron complex Dicarbonyl(3-5.eta.,1-.sigma.-(2-phenylcycloheptenyl))(triphenylphosphine)iron [3-butyl-1,1-bis(hydroxymethyl)-1-ferratetracyclo[4.2.0.0(1,7).0(2,8)]octan-1-ylidene]triphenoxy-phosphane
CAS Registry Number	91550-67-3
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H33FeO5P
InChI	InChI=1S/C18H15O3P.C11H18.2CO.Fe/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;1-2-3-8-11-9-6-4-5-7-10-11;2*1-2;/h1-15H;4-6,9,11H,2-3,7-8,10H2,1H3;;;
InChIKey	QYKNYKBRMAYJPR-UHFFFAOYSA-N
Molecular Weight	572.419 g/mol
SMILES	C12[Fe]34(C2CCC(C4C13)CCCC)(=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)(C#[O])C#[O]
SPLASH	splash10-014i-0009070000-9d51f7f43a64a493ae4e
Source of Spectrum	C-106-6070-0
Wiley ID	1407856