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Iron, cyclopentadiene-tetraphenylcyclobutadiene

View entire compound with spectra: 1 MS (GC)

Iron, cyclopentadiene-tetraphenylcyclobutadiene
SpectraBase Compound ID 853vqhHNXfO
InChI InChI=1S/C28H20.C5H6.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;1-2-4-5-3-1;/h1-20H;1-4H,5H2;
InChIKey XEIZOCJVMMZEIL-UHFFFAOYSA-N
Mol Weight 474.38 g/mol
Molecular Formula C33H22Fe
Exact Mass 474.107087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66baM5XJkFX
Name Iron, cyclopentadiene-tetraphenylcyclobutadiene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H26Fe
InChI InChI=1S/C28H20.C5H6.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;1-2-4-5-3-1;/h1-20H;1-4H,5H2;
InChIKey XEIZOCJVMMZEIL-UHFFFAOYSA-N
Molecular Weight 474.384 g/mol
SMILES [Fe].c1cc([C]2[C](c3ccccc3)[C]([C]2c2ccccc2)c2ccccc2)ccc1.C1[C][C][C][C]1
SPLASH splash10-00ba-1941500000-9c279d0fb0ddce346dd1
Wiley ID 1504529