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1,2-Bis(trifluoromethyl)-4,9-diferrocenylcorannulene

View entire compound with spectra: 1 MS (GC)

1,2-Bis(trifluoromethyl)-4,9-diferrocenylcorannulene
SpectraBase Compound ID 4SQMjNEHBXk
InChI InChI=1S/C32H14F6.2C5H5.2Fe/c33-31(34,35)29-22-13-20(15-5-1-2-6-15)18-11-9-17-10-12-19-21(16-7-3-4-8-16)14-23(30(29)32(36,37)38)28-26(19)24(17)25(18)27(22)28;2*1-2-4-5-3-1;;/h1-14H;2*1-5H;;/q-2;2*-1;2*+2
InChIKey PZPLPMAQBAKQAB-UHFFFAOYSA-N
Mol Weight 754.335 g/mol
Molecular Formula C42H24F6Fe2
Exact Mass 754.048092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YAKdRjDNXq
Name 1,2-Bis(trifluoromethyl)-4,9-diferrocenylcorannulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H24F6Fe2
InChI InChI=1S/C32H14F6.2C5H5.2Fe/c33-31(34,35)29-22-13-20(15-5-1-2-6-15)18-11-9-17-10-12-19-21(16-7-3-4-8-16)14-23(30(29)32(36,37)38)28-26(19)24(17)25(18)27(22)28;2*1-2-4-5-3-1;;/h1-14H;2*1-5H;;/q-2;2*-1;2*+2
InChIKey PZPLPMAQBAKQAB-UHFFFAOYSA-N
Molecular Weight 754.335 g/mol
SMILES [cH-]1cccc1.c1(-c2ccc[cH-]2)cc2c(c(c3c4c5c(c(c3)-c3[cH-]ccc3)ccc3c5c(c24)c1cc3)C(F)(F)F)C(F)(F)F.[Fe+2].[Fe+2].[cH-]1cccc1
SPLASH splash10-0002-0002000900-d00318c47066b0325fdc
Source of Spectrum U2-2014-5401-7g
Synonyms iron(II) 2,2'-(9,10-bis(trifluoromethyl)dibenzo[ghi,mno]fluoranthene-2,7-diyl)bis(cyclopenta-2,4-dien-1-ide) dicyclopenta-2,4-dien-1-ide iron(II) 2,2'-(3,4-bis(trifluoromethyl)dibenzo[ghi,mno]fluoranthene-1,6-diyl)bis(cyclopenta-2,4-dien-1-ide) dicyclopenta-2,4-dien-1-ide
Wiley ID 1789099