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(E)-1-(2-Ferrocenyl)ethenylcorannulene
SpectraBase Compound ID 8KU7g7h5cWs
InChI InChI=1S/C27H15.C5H5.Fe/c1-2-4-16(3-1)5-6-20-15-21-12-11-18-8-7-17-9-10-19-13-14-22(20)27-25(19)23(17)24(18)26(21)27;1-2-4-5-3-1;/h1-15H;1-5H;/q2*-1;+2/b6-5+;;
InChIKey GOYZRBXGSLOEDN-TXOOBNKBSA-N
Mol Weight 460.357 g/mol
Molecular Formula C32H20Fe
Exact Mass 460.091437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AUuRsIHmLQx
Name (E)-1-(2-Ferrocenyl)ethenylcorannulene
Alternate Name(s) iron(II) (E)-2-(2-(dibenzo[ghi,mno]fluoranthen-1-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 C32H20Fe
InChI InChI=1S/C27H15.C5H5.Fe/c1-2-4-16(3-1)5-6-20-15-21-12-11-18-8-7-17-9-10-19-13-14-22(20)27-25(19)23(17)24(18)26(21)27;1-2-4-5-3-1;/h1-15H;1-5H;/q2*-1;+2/b6-5+;;
InChIKey GOYZRBXGSLOEDN-TXOOBNKBSA-N
Literature Reference DOI 10.1002/ejic.201402667
Molecular Weight 460.357 g/mol
SMILES [cH-]1cccc1.c1(\C=C\c2[cH-]ccc2)cc2ccc3ccc4ccc5ccc1c1c5c4c3c21.[Fe+2]
SPLASH splash10-03dr-0007900000-bf29d284b4695e45bbb5
Source of Spectrum U2-2014-5399-3c
Wiley ID 1789097