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6-Chloro-3-ferrocenyl-4-methylisoquinolin-1(2H)-one
SpectraBase Compound ID CMEVnOnaoyX
InChI InChI=1S/C15H11ClNO.C5H5.Fe/c1-9-13-8-11(16)6-7-12(13)15(18)17-14(9)10-4-2-3-5-10;1-2-4-5-3-1;/h2-8H,1H3,(H,17,18);1-5H;/q2*-1;
InChIKey CISQXMPMCWFNPT-UHFFFAOYSA-N
Mol Weight 377.65 g/mol
Molecular Formula C20H16ClFeNO
Exact Mass 377.026978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWXCEya9rqc
Name 6-Chloro-3-ferrocenyl-4-methylisoquinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16ClFeNO
InChI InChI=1S/C15H11ClNO.C5H5.Fe/c1-9-13-8-11(16)6-7-12(13)15(18)17-14(9)10-4-2-3-5-10;1-2-4-5-3-1;/h2-8H,1H3,(H,17,18);1-5H;/q2*-1;
InChIKey CISQXMPMCWFNPT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201301156
Molecular Weight 377.652 g/mol
SMILES [Fe].N1C(c2ccc(cc2C(=C1c1ccc[cH-]1)C)Cl)=O.c1cc[cH-]c1
SPLASH splash10-004i-0109000000-c33ebab63e2b67813e4b
Source of Spectrum ASC-356-1619/SM24-8fa
Wiley ID 1762141