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N-(1-Ferrocenyl-1-phenylmethyl)-acetamide
SpectraBase Compound ID 69Rz3UZgVtH
InChI InChI=1S/C14H14NO.C5H5.Fe/c1-11(16)15-14(13-9-5-6-10-13)12-7-3-2-4-8-12;1-2-4-5-3-1;/h2-10,14H,1H3,(H,15,16);1-5H;
InChIKey XYPUOIFSAUUOJG-UHFFFAOYSA-N
Mol Weight 333.21 g/mol
Molecular Formula C19H19FeNO
Exact Mass 333.0816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjMzUSYwhBQ
Name N-(1-Ferrocenyl-1-phenylmethyl)-acetamide
Alternate Name(s) N-[(1-{1-ferrapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexan-1-yl}cyclopenta-2,4-dien-1-yl)(phenyl)methyl]acetamide
Comments Less than 3 mono-isotopic peaks
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Formula C19H19FeNO
InChI InChI=1S/C14H14NO.C5H5.Fe/c1-11(16)15-14(13-9-5-6-10-13)12-7-3-2-4-8-12;1-2-4-5-3-1;/h2-10,14H,1H3,(H,15,16);1-5H;
InChIKey XYPUOIFSAUUOJG-UHFFFAOYSA-N
Molecular Weight 333.212 g/mol
SMILES N(C(C1([Fe]2345C6C5[C@]4([C@]2(C36)[H])[H])C=CC=C1)c1ccccc1)C(=O)C
SPLASH splash10-001i-0029000000-e889d069cdc480dbac5c
Source of Spectrum U1-1998-694-4
Wiley ID 751106