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5,5-Dimethyl-2-deuterocyclohexa-1,3-dieneironcarbonyl complex
SpectraBase Compound ID F6cwwanGSHn
InChI InChI=1S/C8H12.3CO.Fe/c1-8(2)6-4-3-5-7-8;3*1-2;/h3-6H,7H2,1-2H3;;;;/i3D;;;;
InChIKey CHUXXCQADNRZON-BANOVMLVSA-N
Mol Weight 249.07 g/mol
Molecular Formula C11H112DFeO3
Exact Mass 249.019857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7CgVUt14LSA
Name 5,5-Dimethyl-2-deuterocyclohexa-1,3-dieneironcarbonyl complex
CAS Registry Number 55090-54-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11DFeO3
InChI InChI=1S/C8H12.3CO.Fe/c1-8(2)6-4-3-5-7-8;3*1-2;/h3-6H,7H2,1-2H3;;;;/i3D;;;;
InChIKey CHUXXCQADNRZON-BANOVMLVSA-N
Molecular Weight 249.065 g/mol
SMILES [C@]12([Fe]34([C@]2(C(C)(C)C[C@@]4([C@]13[2D])[H])[H])(C#[O])(C#[O])C#[O])[H]
SPLASH splash10-0007-4920000000-ca965b85cd67eb18e135
Source of Spectrum O-3-215-10
Wiley ID 34474