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Tricarbonyl[4-7.eta.-(2E,4E,6E)-5,9-dimethyldeca-2,4,6,8-tetraenenitrile] iron
SpectraBase Compound ID LBfrQUW80Mq
InChI InChI=1S/C12H15N.3CO.Fe/c1-11(2)7-6-9-12(3)8-4-5-10-13;3*1-2;/h4-9H,1-3H3;;;;/b5-4+;;;;
InChIKey SRONPLVCCSEHPS-ZIDOSWBXSA-N
Mol Weight 313.13 g/mol
Molecular Formula C15H15FeNO3
Exact Mass 313.040129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pM7C3Jw3L3
Name Tricarbonyl[4-7.eta.-(2E,4E,6E)-5,9-dimethyldeca-2,4,6,8-tetraenenitrile] iron
CAS Registry Number 122083-96-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15FeNO3
InChI InChI=1S/C12H15N.3CO.Fe/c1-11(2)7-6-9-12(3)8-4-5-10-13;3*1-2;/h4-9H,1-3H3;;;;/b5-4+;;;;
InChIKey SRONPLVCCSEHPS-ZIDOSWBXSA-N
Molecular Weight 313.134 g/mol
SMILES [C@@]12([Fe]3([C@]2(\C=C\C#N)[H])([C@@]1([C@]3(C=C(C)C)[H])[H])(C#[O])(C#[O])C#[O])C
SPLASH splash10-0a6r-5090000000-715763e415c235386522
Source of Spectrum H-71-1139-52
Synonyms (2E)-3-[1,1,1-tris(hydroxymethyl)-3-methyl-5-(2-methylprop-1-en-1-yl)-1-ferratricyclo[2.1.0.0(1,3)]pentan-2-yl]prop-2-enenitrile
Wiley ID 1314116