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2-Ferrocenylvinyl-6-methyl-4H-pyran-4-one

View entire compound with spectra: 1 MS (GC)

2-Ferrocenylvinyl-6-methyl-4H-pyran-4-one
SpectraBase Compound ID BweEDVDfkKE
InChI InChI=1S/C13H11O2.C5H5.Fe/c1-10-8-12(14)9-13(15-10)7-6-11-4-2-3-5-11;1-2-4-5-3-1;/h2-9H,1H3;1-5H;/q2*-1;+2
InChIKey QRIQCNUIMZFDOD-UHFFFAOYSA-N
Mol Weight 320.17 g/mol
Molecular Formula C18H16FeO2
Exact Mass 320.049966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HbRvDFgRIc
Name 2-Ferrocenylvinyl-6-methyl-4H-pyran-4-one
Alternate Name(s) iron(II) 2-(2-(6-methyl-4-oxo-4H-pyran-2-yl)vinyl)cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16FeO2
InChI InChI=1S/C13H11O2.C5H5.Fe/c1-10-8-12(14)9-13(15-10)7-6-11-4-2-3-5-11;1-2-4-5-3-1;/h2-9H,1H3;1-5H;/q2*-1;+2
InChIKey QRIQCNUIMZFDOD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/aoc.4533
Molecular Weight 320.169 g/mol
SMILES c1cc[cH-]c1.[Fe+2].C1(C)=CC(=O)C=C(O1)C=Cc1[cH-]ccc1
SPLASH splash10-0006-9310000000-c1d43cc61a28b508e487
Source of Spectrum AOC-32-SM8-5a
Wiley ID 1814112