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(1-Phenoxypentyl)ferrocene
SpectraBase Compound ID JLhbE4qJD0P
InChI InChI=1S/C16H19O.C5H5.Fe/c1-2-3-13-16(14-9-7-8-10-14)17-15-11-5-4-6-12-15;1-2-4-5-3-1;/h4-12,16H,2-3,13H2,1H3;1-5H;
InChIKey ZETBBIPAGRKUAO-UHFFFAOYSA-N
Mol Weight 348.27 g/mol
Molecular Formula C21H24FeO
Exact Mass 348.117651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8sAeQAV1cJg
Name (1-Phenoxypentyl)ferrocene
CAS Registry Number 91581-43-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24FeO
InChI InChI=1S/C16H19O.C5H5.Fe/c1-2-3-13-16(14-9-7-8-10-14)17-15-11-5-4-6-12-15;1-2-4-5-3-1;/h4-12,16H,2-3,13H2,1H3;1-5H;
InChIKey ZETBBIPAGRKUAO-UHFFFAOYSA-N
Molecular Weight 348.267 g/mol
SMILES [C@]12([Fe]3456789([C@@]2([C@]5([C@]4([C@@]13[H])[H])[H])[H])[C@]1([C@@]6([C@@]7([C@@]8([C@@]91[H])[H])[H])[H])[H])C(Oc1ccccc1)CCCC
SPLASH splash10-0avi-9600000000-e349381e2e5dfff6e3d1
Source of Spectrum O-20-105-7
Wiley ID 1340793