For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Iron, (pentamethylcyclopentadienyl)-(tetraphenylcyclobutadiene)
SpectraBase Compound ID 8KUPkkSW5I2
InChI InChI=1S/C28H20.C10H15.Fe/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)27(25)23-17-9-3-10-18-23;1-6-7(2)9(4)10(5)8(6)3;/h1-20H;1-5H3;/q;-1;
InChIKey VSNPOXKYJYNNDG-UHFFFAOYSA-N
Mol Weight 547.54 g/mol
Molecular Formula C38H35Fe
Exact Mass 547.208812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID I7C2CASyOGI
Name Iron, (pentamethylcyclopentadienyl)-(tetraphenylcyclobutadiene)
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H35Fe
InChI InChI=1S/C28H20.C10H15.Fe/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)27(25)23-17-9-3-10-18-23;1-6-7(2)9(4)10(5)8(6)3;/h1-20H;1-5H3;/q;-1;
InChIKey VSNPOXKYJYNNDG-UHFFFAOYSA-N
Molecular Weight 547.543 g/mol
SMILES [Fe].C=1(C(=C(C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.[c-]1(c(c(C)c(c1C)C)C)C
SPLASH splash10-0002-1621190000-5641517b70c8bccfbf72
Synonyms Eisen, (pentamethylcyclopentadienyl)-(tetraphenylcyclobutadien)
Wiley ID 1493340