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Iron, (.eta.5-2,4-cyclopentadien-1-yl)[(1,2,3,3a,7a-.eta.)-4,5,6,7-tetrahydro-4-hydroxy-5-phenyl-1H-inden-1-yl]-, stereoisomer

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Iron, (.eta.5-2,4-cyclopentadien-1-yl)[(1,2,3,3a,7a-.eta.)-4,5,6,7-tetrahydro-4-hydroxy-5-phenyl-1H-inden-1-yl]-, stereoisomer
SpectraBase Compound ID KYeZUbe2x6Y
InChI InChI=1S/C15H15O.C5H5.Fe/c16-15-13-8-4-7-12(13)9-10-14(15)11-5-2-1-3-6-11;1-2-4-5-3-1;/h1-8,14-16H,9-10H2;1-5H;/q2*-5;
InChIKey UAKNJADRCFJEMJ-UHFFFAOYSA-N
Mol Weight 332.22 g/mol
Molecular Formula C20H20FeO
Exact Mass 332.086351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5qJiJdEacO
Name Iron, (.eta.5-2,4-cyclopentadien-1-yl)[(1,2,3,3a,7a-.eta.)-4,5,6,7-tetrahydro-4-hydroxy-5-phenyl-1H-inden-1-yl]-, stereoisomer
Alternate Name(s) 7-Hydroxy-6-phenyl-octahydro-1H-indene-1,2,3,3a,7a-pentaide cyclopentane-1,2,3,4,5-pentaide iron endo-1,2-(.alpha.-hydroxy-.beta.-phenyl-tetramethylene)-ferrocene exo-1,2-(.alpha.-hydroxy-.beta.-phenyl-tetramethylene)-ferrocene Iron, (eta5-2,4-cyclopentadien-1-yl)[(1,2,3,3a,7a-eta)-4,5,6,7-tetrahydro-4-hydroxy-5-phenyl-1H-inden-1-yl]-, stereoisomer
CAS Registry Number 12149-22-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20FeO
InChI InChI=1S/C15H15O.C5H5.Fe/c16-15-13-8-4-7-12(13)9-10-14(15)11-5-2-1-3-6-11;1-2-4-5-3-1;/h1-8,14-16H,9-10H2;1-5H;/q2*-5;
InChIKey UAKNJADRCFJEMJ-UHFFFAOYSA-N
Molecular Weight 332.224 g/mol
SMILES OC1C(CC[C-]2[CH-][CH-][CH-][C-]12)c1ccccc1.[Fe].[CH-]1[CH-][CH-][CH-][CH-]1
SPLASH splash10-001i-0329000000-a7105bd9847bb37cd94e
Source of Spectrum T-66-1758-0
Wiley ID 1329554