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Iron, [(2,3,5,6-.eta.)-bicyclo[2.2.1]hepta-2,5-diene]dicarbonyl(tricyclohexylphosphine)-
SpectraBase Compound ID Kv5ufz6m0zK
InChI InChI=1S/C18H33P.C7H8.2CO.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-7-4-3-6(1)5-7;2*1-2;/h16-18H,1-15H2;1-4,6-7H,5H2;;;
InChIKey LSHMBDBQLRBCHF-UHFFFAOYSA-N
Mol Weight 484.4 g/mol
Molecular Formula C27H41FeO2P
Exact Mass 484.219354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DGRYmsUtlB
Name Iron, [(2,3,5,6-.eta.)-bicyclo[2.2.1]hepta-2,5-diene]dicarbonyl(tricyclohexylphosphine)-
Alternate Name(s) Bicyclo[2.2.1]hepta-2,5-diene, iron complex Dicarbonyl[2,3-.eta.:5,6-.eta.(bicyclo[2.2.1]hepta-2,5-diene)][tri(cyclohexyl)phosphine]iron Phosphine, tricyclohexyl-, iron complex [2,2-bis(hydroxymethyl)-2-ferrapentacyclo[3.3.0.0(2,4).0(2,8).0(3,7)]octan-2-ylium-2-yl]tricyclohexylphosphanuide
CAS Registry Number 122655-85-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H41FeO2P
InChI InChI=1S/C18H33P.C7H8.2CO.Fe/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-7-4-3-6(1)5-7;2*1-2;/h16-18H,1-15H2;1-4,6-7H,5H2;;;
InChIKey LSHMBDBQLRBCHF-UHFFFAOYSA-N
Molecular Weight 484.442 g/mol
SMILES C12[Fe+]34(C2C2CC1C4C32)([P-](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C#[O])C#[O]
SPLASH splash10-004i-0020900000-c00b6d12f4a44011aa44
Source of Spectrum H-71-1465-0
Wiley ID 1396028