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4-Benzyl-3-ferrocenyl-1,7-dimethylisoquinoline
SpectraBase Compound ID 1v3xWA5G1T6
InChI InChI=1S/C23H20N.C5H5.Fe/c1-16-12-13-20-21(14-16)17(2)24-23(19-10-6-7-11-19)22(20)15-18-8-4-3-5-9-18;1-2-4-5-3-1;/h3-14H,15H2,1-2H3;1-5H;/q2*-1;
InChIKey MIVQMFWKGIDNME-UHFFFAOYSA-N
Mol Weight 431.36 g/mol
Molecular Formula C28H25FeN
Exact Mass 431.133636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRkUhu8heff
Name 4-Benzyl-3-ferrocenyl-1,7-dimethylisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H25FeN
InChI InChI=1S/C23H20N.C5H5.Fe/c1-16-12-13-20-21(14-16)17(2)24-23(19-10-6-7-11-19)22(20)15-18-8-4-3-5-9-18;1-2-4-5-3-1;/h3-14H,15H2,1-2H3;1-5H;/q2*-1;
InChIKey MIVQMFWKGIDNME-UHFFFAOYSA-N
Molecular Weight 431.360 g/mol
SMILES [Fe].c1(nc(c2c(c1Cc1ccccc1)ccc(c2)C)C)-c1ccc[cH-]1.c1cc[cH-]c1
SPLASH splash10-001i-1202900000-5f35282267a0b6cf8a37
Source of Spectrum ASC-356-1619/SM12-7fc
Wiley ID 1762134