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Tricarbonyl{7,7,8,8-tetracyano-(2,3,4,5-.eta.)-bicyclo[4.2.1]nona-2,4-diene}iron
SpectraBase Compound ID 9HnEr2ehZck
InChI InChI=1S/C13H8N4.3CO.Fe/c14-6-12(7-15)10-3-1-2-4-11(5-10)13(12,8-16)9-17;3*1-2;/h1-4,10-11H,5H2;;;;/t10-,11+;;;;
InChIKey CTGYHWRXBSHUAY-GLECXXGLSA-N
Mol Weight 360.11 g/mol
Molecular Formula C16H8FeN4O3
Exact Mass 359.994576 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7K5hPDeCx10
Name Tricarbonyl{7,7,8,8-tetracyano-(2,3,4,5-.eta.)-bicyclo[4.2.1]nona-2,4-diene}iron
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H8FeN4O3
InChI InChI=1S/C13H8N4.3CO.Fe/c14-6-12(7-15)10-3-1-2-4-11(5-10)13(12,8-16)9-17;3*1-2;/h1-4,10-11H,5H2;;;;/t10-,11+;;;;
InChIKey CTGYHWRXBSHUAY-GLECXXGLSA-N
Molecular Weight 360.110 g/mol
SMILES [C@]12([Fe]34([C@]2([C@]2(C(C#N)(C#N)C([C@@]([C@@]4([C@]13[H])[H])(C2)[H])(C#N)C#N)[H])[H])(C#[O])(C#[O])C#[O])[H]
SPLASH splash10-000x-9200000000-4bcdcf5401ad5a7ee581
Source of Spectrum SO-0-950-7
Wiley ID 1538673