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3-Ferrocenyl-4-methylisoquinolin-1(2H)-one

View entire compound with spectra: 1 MS (GC)

3-Ferrocenyl-4-methylisoquinolin-1(2H)-one
SpectraBase Compound ID 6de2Bipam1V
InChI InChI=1S/C15H12NO.C5H5.Fe/c1-10-12-8-4-5-9-13(12)15(17)16-14(10)11-6-2-3-7-11;1-2-4-5-3-1;/h2-9H,1H3,(H,16,17);1-5H;/q2*-1;
InChIKey ONHNWGDQZHWUHX-UHFFFAOYSA-N
Mol Weight 343.21 g/mol
Molecular Formula C20H17FeNO
Exact Mass 343.06595 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AU45kbNDrej
Name 3-Ferrocenyl-4-methylisoquinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17FeNO
InChI InChI=1S/C15H12NO.C5H5.Fe/c1-10-12-8-4-5-9-13(12)15(17)16-14(10)11-6-2-3-7-11;1-2-4-5-3-1;/h2-9H,1H3,(H,16,17);1-5H;/q2*-1;
InChIKey ONHNWGDQZHWUHX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201301156
Molecular Weight 343.207 g/mol
SMILES [Fe].N1C(c2ccccc2C(=C1c1ccc[cH-]1)C)=O.c1cc[cH-]c1
SPLASH splash10-0006-9106000000-6047b6f4411c4764f72c
Source of Spectrum ASC-356-1619/SM19-8aa
Wiley ID 1762137