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3-Ferrocenyl-4,6,7-trimethylisoquinolin-1(2H)-one
SpectraBase Compound ID LdGjAhKMnQ9
InChI InChI=1S/C17H16NO.C5H5.Fe/c1-10-8-14-12(3)16(13-6-4-5-7-13)18-17(19)15(14)9-11(10)2;1-2-4-5-3-1;/h4-9H,1-3H3,(H,18,19);1-5H;/q2*-1;
InChIKey FIYTYMZFVGTDLE-UHFFFAOYSA-N
Mol Weight 371.26 g/mol
Molecular Formula C22H21FeNO
Exact Mass 371.09725 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cg3TmW3KbmI
Name 3-Ferrocenyl-4,6,7-trimethylisoquinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21FeNO
InChI InChI=1S/C17H16NO.C5H5.Fe/c1-10-8-14-12(3)16(13-6-4-5-7-13)18-17(19)15(14)9-11(10)2;1-2-4-5-3-1;/h4-9H,1-3H3,(H,18,19);1-5H;/q2*-1;
InChIKey FIYTYMZFVGTDLE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201301156
Molecular Weight 371.261 g/mol
SMILES [Fe].N1C(c2cc(c(cc2C(=C1c1ccc[cH-]1)C)C)C)=O.c1cc[cH-]c1
SPLASH splash10-00di-3009000000-a3f0498a2c9c10b77da5
Source of Spectrum ASC-356-1619/SM26-8ha
Wiley ID 1762142