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1-Ethyl-3-ferrocenyl-6-methoxy-4-methylisoquinoline
SpectraBase Compound ID K4bFzM5d4Ic
InChI InChI=1S/C18H18NO.C5H5.Fe/c1-4-17-15-10-9-14(20-3)11-16(15)12(2)18(19-17)13-7-5-6-8-13;1-2-4-5-3-1;/h5-11H,4H2,1-3H3;1-5H;/q2*-1;
InChIKey ROUCSYKNQXMLQX-UHFFFAOYSA-N
Mol Weight 385.29 g/mol
Molecular Formula C23H23FeNO
Exact Mass 385.1129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IgULyYqveMt
Name 1-Ethyl-3-ferrocenyl-6-methoxy-4-methylisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23FeNO
InChI InChI=1S/C18H18NO.C5H5.Fe/c1-4-17-15-10-9-14(20-3)11-16(15)12(2)18(19-17)13-7-5-6-8-13;1-2-4-5-3-1;/h5-11H,4H2,1-3H3;1-5H;/q2*-1;
InChIKey ROUCSYKNQXMLQX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201301156
Molecular Weight 385.288 g/mol
SMILES [Fe].c1(nc(c2c(c1C)cc(cc2)OC)CC)-c1ccc[cH-]1.c1cc[cH-]c1
SPLASH splash10-000i-0109000000-53fccf92a5b4c0f10289
Source of Spectrum ASC-356-1619/SM8-7ea
Wiley ID 1762132