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Iron, tricarbonyl[(O,1,2,3-.eta.)-4,4-dimethyl-1-phenyl-1-penten-3-one]-, (E)-
SpectraBase Compound ID 6oB7Hkg0IEw
InChI InChI=1S/C13H16O.3CO.Fe/c1-13(2,3)12(14)10-9-11-7-5-4-6-8-11;3*1-2;/h4-10H,1-3H3;;;;/q-1;;;;+1
InChIKey HGLSYXCKTNZLPV-UHFFFAOYSA-N
Mol Weight 328.15 g/mol
Molecular Formula C16H16FeO4
Exact Mass 328.039795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JdDyKbyEiF6
Name Iron, tricarbonyl[(O,1,2,3-.eta.)-4,4-dimethyl-1-phenyl-1-penten-3-one]-, (E)-
CAS Registry Number 112515-15-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16FeO4
InChI InChI=1S/C13H16O.3CO.Fe/c1-13(2,3)12(14)10-9-11-7-5-4-6-8-11;3*1-2;/h4-10H,1-3H3;;;;/q-1;;;;+1
InChIKey HGLSYXCKTNZLPV-UHFFFAOYSA-N
Molecular Weight 328.145 g/mol
SMILES C12([Fe]3(O2)(C1C3c1ccccc1)(C#[O])(C#[O])C#[O])C(C)(C)C
SPLASH splash10-0ufr-0029000000-82ae10df76499375781a
Source of Spectrum KC-1988-2093-9
Synonyms 1-Penten-3-one, 4,4-dimethyl-1-phenyl-, iron complex, (E)- 3-tert-Butyl-1,1,1-tris(hydroxymethyl)-5-phenyl-2-oxa-1-ferratricyclo[2.1.0.0(1,3)]pentane Tricarbonyl(benzylidenemethyl t-butyl ketone)iron(0)
Wiley ID 1326033