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Iron, tricarbonyl[(3,4,5,6-.eta.)-1,3,5-cycloheptatriene-1-carbonitrile]-
SpectraBase Compound ID 7QWkwV8I3iw
InChI InChI=1S/C8H7N.3CO.Fe/c9-7-8-5-3-1-2-4-6-8;3*1-2;/h1-5H,6H2;;;;
InChIKey YHPKNCPDWRLMDI-UHFFFAOYSA-N
Mol Weight 257.03 g/mol
Molecular Formula C11H7FeNO3
Exact Mass 256.977529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DtWS2MQuxzE
Name Iron, tricarbonyl[(3,4,5,6-.eta.)-1,3,5-cycloheptatriene-1-carbonitrile]-
CAS Registry Number 116852-14-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H7FeNO3
InChI InChI=1S/C8H7N.3CO.Fe/c9-7-8-5-3-1-2-4-6-8;3*1-2;/h1-5H,6H2;;;;
InChIKey YHPKNCPDWRLMDI-UHFFFAOYSA-N
Molecular Weight 257.026 g/mol
SMILES [C@]12([Fe]34([C@]2([C@@]4(CC(C#N)=C[C@]13[H])[H])[H])(C#[O])(C#[O])C#[O])[H]
SPLASH splash10-00di-0930000000-e53f06701dffa1471371
Source of Spectrum KC-1989-1022-4
Synonyms 1,1,1-tris(hydroxymethyl)-1-ferratetracyclo[4.2.0.0(1,7).0(2,8)]oct-3-ene-4-carbonitrile 1,3,5-Cycloheptatriene-1-carbonitrile, iron complex Tricarbonyl(1-4-.eta.-6-cyanocyclohepta-1,3,5-triene)iron
Wiley ID 1260538