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Iron, [(1,3,4,5-.eta.)-2-butyl-4-cycloheptene-1,3-diyl]dicarbonyl(triphenyl phosphine)-, stereoisomer
SpectraBase Compound ID CeHvy4xQzgA
InChI InChI=1S/C18H15P.C11H18.2CO.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)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 HZDFHWBLZRUNHZ-UHFFFAOYSA-N
Mol Weight 524.4 g/mol
Molecular Formula C31H33FeO2P
Exact Mass 524.156753 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9UifQAusO7m
Name Iron, [(1,3,4,5-.eta.)-2-butyl-4-cycloheptene-1,3-diyl]dicarbonyl(triphenyl phosphine)-, stereoisomer
Alternate Name(s) Cycloheptene, 3-butyl-, iron complex Dicarbonyl(3-5-.eta.,1-.sigma.-(2-n-butylcycloheptenyl))(triphenylphosphine)-iron Dicarbonyl(5-n-butyl-1,3-cycloheptadiene)(triphenylphosphine)iron [3-butyl-1,1-bis(hydroxymethyl)-1-ferratetracyclo[4.2.0.0(1,7).0(2,8)]octan-1-ylium-1-yl]triphenylphosphanuide
CAS Registry Number 91550-53-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H33FeO2P
InChI InChI=1S/C18H15P.C11H18.2CO.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)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 HZDFHWBLZRUNHZ-UHFFFAOYSA-N
Molecular Weight 524.422 g/mol
SMILES C12[Fe+]34(C2CCC(C4C13)CCCC)([P-](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O]
SPLASH splash10-03di-0090400000-801322d16e3557734089
Source of Spectrum C-106-6070-0
Wiley ID 1402598