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(trans,trans-6-Phenylbromo-3,5-hexadien-2-one)(tricarbonyl)iron
SpectraBase Compound ID 3Gz11PtGG1n
InChI InChI=1S/C12H12O.3CO.BrH.Fe/c1-11(13)7-5-6-10-12-8-3-2-4-9-12;3*1-2;;/h2-10H,1H3;;;;1H;/q;;;;;+1/p-1
InChIKey YDNBATVWEBLKDQ-UHFFFAOYSA-M
Mol Weight 392.01 g/mol
Molecular Formula C15H12BrFeO4
Exact Mass 390.926833 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNlzkcmX9K4
Name (trans,trans-6-Phenylbromo-3,5-hexadien-2-one)(tricarbonyl)iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12BrFeO4
InChI InChI=1S/C12H12O.3CO.BrH.Fe/c1-11(13)7-5-6-10-12-8-3-2-4-9-12;3*1-2;;/h2-10H,1H3;;;;1H;/q;;;;;+1/p-1
InChIKey YDNBATVWEBLKDQ-UHFFFAOYSA-M
Molecular Weight 392.006 g/mol
SMILES C12[Fe]3(C2C(=O)C)(C1C3c1ccccc1)(C#[O])(C#[O])(C#[O])Br
SPLASH splash10-0a6r-0529000000-3e6c9eab8395d7c2799e
Source of Spectrum AG-122-386-5
Synonyms 1-[1-bromo-1,1,1-tris(hydroxymethyl)-5-phenyl-1-ferratricyclo[2.1.0.0(1,3)]pentan-2-yl]ethan-1-one
Wiley ID 1365251