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4-n-Butyl-3-ferrocenyl-1-n-pentylisoquinoline
SpectraBase Compound ID JvouEjrxDx4
InChI InChI=1S/C23H28N.C5H5.Fe/c1-3-5-7-17-22-20-16-11-10-15-19(20)21(14-6-4-2)23(24-22)18-12-8-9-13-18;1-2-4-5-3-1;/h8-13,15-16H,3-7,14,17H2,1-2H3;1-5H;/q2*-1;
InChIKey YBRPUSXNAJSAAU-UHFFFAOYSA-N
Mol Weight 439.42 g/mol
Molecular Formula C28H33FeN
Exact Mass 439.196236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3wgEQRNeDS
Name 4-n-Butyl-3-ferrocenyl-1-n-pentylisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H33FeN
InChI InChI=1S/C23H28N.C5H5.Fe/c1-3-5-7-17-22-20-16-11-10-15-19(20)21(14-6-4-2)23(24-22)18-12-8-9-13-18;1-2-4-5-3-1;/h8-13,15-16H,3-7,14,17H2,1-2H3;1-5H;/q2*-1;
InChIKey YBRPUSXNAJSAAU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201301156
Molecular Weight 439.424 g/mol
SMILES [Fe].c1(nc(c2c(c1CCCC)cccc2)CCCCC)-c1ccc[cH-]1.c1cc[cH-]c1
SPLASH splash10-000i-3400900000-361b7e9e2afaf769f591
Source of Spectrum ASC-356-1619/SM9-7cb
Wiley ID 1762130