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

*Links on SpectraBase are not permalinks.
Iron, tricarbonyl[[(2,3,4,5-.eta.)-2,4,6-cycloheptatrien-1-ylidene]phenylmethyl acetate]-, stereoisomer
SpectraBase Compound ID KIUCOun9XKu
InChI InChI=1S/C16H14O2.3CO.Fe/c1-13(17)18-16(15-11-7-4-8-12-15)14-9-5-2-3-6-10-14;3*1-2;/h2-12H,1H3;;;;
InChIKey OIMLHSRMANNBHJ-UHFFFAOYSA-N
Mol Weight 378.16 g/mol
Molecular Formula C19H14FeO5
Exact Mass 378.01906 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 7IgytRk5Ufs
Name Iron, tricarbonyl[[(2,3,4,5-.eta.)-2,4,6-cycloheptatrien-1-ylidene]phenylmethyl acetate]-, stereoisomer
CAS Registry Number 124019-69-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14FeO5
InChI InChI=1S/C16H14O2.3CO.Fe/c1-13(17)18-16(15-11-7-4-8-12-15)14-9-5-2-3-6-10-14;3*1-2;/h2-12H,1H3;;;;
InChIKey OIMLHSRMANNBHJ-UHFFFAOYSA-N
Molecular Weight 378.161 g/mol
SMILES C12[Fe]34(C2\C(=C\(OC(=O)C)c2ccccc2)C=CC4C13)(C#[O])(C#[O])C#[O]
SPLASH splash10-014i-0090000000-68ef1b94ea175a0be730
Source of Spectrum C-112-213-8
Synonyms (1-4-.eta.-8-Phenyl-8-acetoxyheptafulvene)iron tricarbonyl Benzenemethanol, .alpha.-2,4,6-cycloheptatrien-1-ylidene-, acetate, iron complex phenyl[(3Z)-1,1,1-tris(hydroxymethyl)-1-ferratetracyclo[4.2.0.0(1,7).0(2,8)]oct-4-en-3-ylidene]methyl acetate
Wiley ID 1358637