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2-Benzoylmethylaminoferrocene

View entire compound with spectra: 1 MS (GC)

2-Benzoylmethylaminoferrocene
SpectraBase Compound ID 3jTNL3cz4ie
InChI InChI=1S/C13H12NO.C5H5.Fe/c1-14-12-9-5-8-11(12)13(15)10-6-3-2-4-7-10;1-2-4-5-3-1;/h2-9,14H,1H3;1-5H;/q2*-5;
InChIKey FLHSNOIRMMKNKK-UHFFFAOYSA-N
Mol Weight 319.19 g/mol
Molecular Formula C18H17FeNO
Exact Mass 319.06595 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CcTU3nesa
Name 2-Benzoylmethylaminoferrocene
Alternate Name(s) 2-Benzoyl-1-(methylamino)cyclopentane-1,2,3,4,5-pentaide cyclopentane-1,2,3,4,5-pentaide iron
CAS Registry Number 53248-65-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17FeNO
InChI InChI=1S/C13H12NO.C5H5.Fe/c1-14-12-9-5-8-11(12)13(15)10-6-3-2-4-7-10;1-2-4-5-3-1;/h2-9,14H,1H3;1-5H;/q2*-5;
InChIKey FLHSNOIRMMKNKK-UHFFFAOYSA-N
Molecular Weight 319.185 g/mol
SMILES N(C)[C-]1[CH-][CH-][CH-][C-]1C(=O)c1ccccc1.[Fe].[CH-]1[CH-][CH-][CH-][CH-]1
SPLASH splash10-014i-5924000000-72ad57c4b33414f89ae2
Source of Spectrum W5-1989-57865-7671
Wiley ID 1319372