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(1RS,2SR,5RS)-(2E,4E)-Tricarbonyl[2-5.eta.-N-benzyl-1-butyl-2,4-hexadienamine]iron
SpectraBase Compound ID 2tr3UPyCrre
InChI InChI=1S/C17H25N.3CO.Fe/c1-3-5-8-14-17(13-6-4-2)18-15-16-11-9-7-10-12-16;3*1-2;/h3,5,7-12,14,17-18H,4,6,13,15H2,1-2H3;;;;
InChIKey CDZFKDDZZYLMRD-UHFFFAOYSA-N
Mol Weight 383.27 g/mol
Molecular Formula C20H25FeNO3
Exact Mass 383.11838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMltG7rcjQi
Name (1RS,2SR,5RS)-(2E,4E)-Tricarbonyl[2-5.eta.-N-benzyl-1-butyl-2,4-hexadienamine]iron
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Formula C20H25FeNO3
InChI InChI=1S/C17H25N.3CO.Fe/c1-3-5-8-14-17(13-6-4-2)18-15-16-11-9-7-10-12-16;3*1-2;/h3,5,7-12,14,17-18H,4,6,13,15H2,1-2H3;;;;
InChIKey CDZFKDDZZYLMRD-UHFFFAOYSA-N
Molecular Weight 383.269 g/mol
SMILES N(C(C1[Fe]23(C1C3C2C)(C#[O])(C#[O])C#[O])CCCC)Cc1ccccc1
SPLASH splash10-0002-0290000000-a850101daef67f19f89b
Source of Spectrum E1-44-952-2
Wiley ID 1553435