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1,2,5,6-Tetra(ferrocenyl)corannulene

View entire compound with spectra: 1 MS (GC)

1,2,5,6-Tetra(ferrocenyl)corannulene
SpectraBase Compound ID DQ0eIiHl7O1
InChI InChI=1S/C40H22.4C5H5.4Fe/c1-2-10-23(9-1)32-28-19-17-27-18-20-29-33(24-11-3-4-12-24)35(26-15-7-8-16-26)31-22-21-30(34(32)25-13-5-6-14-25)39-37(28)36(27)38(29)40(31)39;4*1-2-4-5-3-1;;;;/h1-22H;4*1-5H;;;;/q-4;4*-1;4*+2
InChIKey NLWVKRFWPHKWFO-UHFFFAOYSA-N
Mol Weight 986.38 g/mol
Molecular Formula C60H42Fe4
Exact Mass 986.068395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EtlbgJngJI5
Name 1,2,5,6-Tetra(ferrocenyl)corannulene
Alternate Name(s) iron(II) 2,2',2'',2'''-(dibenzo[ghi,mno]fluoranthene-1,2,5,6-tetrayl)tetrakis(cyclopenta-2,4-dien-1-ide) tetracyclopenta-2,4-dien-1-ide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C60H42Fe4
InChI InChI=1S/C40H22.4C5H5.4Fe/c1-2-10-23(9-1)32-28-19-17-27-18-20-29-33(24-11-3-4-12-24)35(26-15-7-8-16-26)31-22-21-30(34(32)25-13-5-6-14-25)39-37(28)36(27)38(29)40(31)39;4*1-2-4-5-3-1;;;;/h1-22H;4*1-5H;;;;/q-4;4*-1;4*+2
InChIKey NLWVKRFWPHKWFO-UHFFFAOYSA-N
Molecular Weight 986.377 g/mol
SMILES [cH-]1cccc1.c1(-c2ccc[cH-]2)c(-c2ccc[cH-]2)c2ccc3c4c5c(c(c3-c3[cH-]ccc3)-c3[cH-]ccc3)ccc3c5c(c24)c1cc3.[Fe+2].[Fe+2].[Fe+2].[Fe+2].[cH-]1cccc1.[cH-]1cccc1.[cH-]1cccc1
SPLASH splash10-01q0-0300046907-fb811df7a5ac77ba92c6
Source of Spectrum U2-2014-5403-9g
Wiley ID 1789100