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Tricarbonyl-[Methyl 3-(butyl)pent-4-yn-1-oate]iron
SpectraBase Compound ID 1RLaF43J85L
InChI InChI=1S/C10H12O2.3CO.Fe/c1-4-6-7-9(5-2)8-10(11)12-3;3*1-2;/h2,4,6-9H,1,3H3;;;;/t9-;;;;/m0..../s1
InChIKey LMQRLYDIPOMQQZ-ZWACTXNCSA-N
Mol Weight 304.08 g/mol
Molecular Formula C13H12FeO5
Exact Mass 304.003409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6GcGrJ5z4f6
Name Tricarbonyl-[Methyl 3-(butyl)pent-4-yn-1-oate]iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12FeO5
InChI InChI=1S/C10H12O2.3CO.Fe/c1-4-6-7-9(5-2)8-10(11)12-3;3*1-2;/h2,4,6-9H,1,3H3;;;;/t9-;;;;/m0..../s1
InChIKey LMQRLYDIPOMQQZ-ZWACTXNCSA-N
Molecular Weight 304.079 g/mol
SMILES C12[Fe]3(C2C)(C1[C@@]([C@]3(C(=O)OC)[H])(C#C)[H])(C#[O])(C#[O])C#[O]
SPLASH splash10-00di-0090000000-ce42d9c5eaf06d7aeaa7
Source of Spectrum AC-1992-156-16
Wiley ID 748019