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1,3-Cyclohexadiene, 1-methyl-, iron complex
SpectraBase Compound ID JEtghHn8EZi
InChI InChI=1S/C7H10.3CO.Fe/c1-7-5-3-2-4-6-7;3*1-2;/h2-3,5H,4,6H2,1H3;;;;
InChIKey LZOMMVZTQMERBJ-UHFFFAOYSA-N
Mol Weight 234.03 g/mol
Molecular Formula C10H10FeO3
Exact Mass 233.99793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrFKgotFm8R
Name 1,3-Cyclohexadiene, 1-methyl-, iron complex
Alternate Name(s) Iron, tricarbonyl(1-methyl-1,3-cyclohexadiene)- Iron, tricarbonyl[(1,2,3,4-.eta.)-1-methyl-1,3-cyclohexadiene]- 1,1,1-tris(hydroxymethyl)-2-methyl-1-ferratetracyclo[3.2.0.0(1,6).0(2,7)]heptane Tricarbonyl[(1,2,3,4-.eta.)-1-methyl-1,3-cyclohexadiene]iron
CAS Registry Number 12307-19-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10FeO3
InChI InChI=1S/C7H10.3CO.Fe/c1-7-5-3-2-4-6-7;3*1-2;/h2-3,5H,4,6H2,1H3;;;;
InChIKey LZOMMVZTQMERBJ-UHFFFAOYSA-N
Molecular Weight 234.032 g/mol
SMILES C12[Fe]34(C2C4CCC13C)(C#[O])(C#[O])C#[O]
SPLASH splash10-0a4j-6930000000-9e82c5bb2c33feb6e81d
Source of Spectrum K-119-174-8
Wiley ID 1235495