9-n-Butyl-8-ferrocenyl-6-methyl-[1,3]dioxolo[4,5-f]isoquinoline

SpectraBase Compound ID	GpibKhnV9h8
InChI	InChI=1S/C20H20NO2.C5H5.Fe/c1-3-4-9-16-18-15(10-11-17-20(18)23-12-22-17)13(2)21-19(16)14-7-5-6-8-14;1-2-4-5-3-1;/h5-8,10-11H,3-4,9,12H2,1-2H3;1-5H;/q2*-1;
InChIKey	JVJJQQTVZUJZJV-UHFFFAOYSA-N Google Search
Mol Weight	427.33 g/mol
Molecular Formula	C25H25FeNO2
Exact Mass	427.123465 g/mol

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SpectraBase Spectrum ID	5ziJvMPRaCH
Name	9-n-Butyl-8-ferrocenyl-6-methyl-[1,3]dioxolo[4,5-f]isoquinoline
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H25FeNO2
InChI	InChI=1S/C20H20NO2.C5H5.Fe/c1-3-4-9-16-18-15(10-11-17-20(18)23-12-22-17)13(2)21-19(16)14-7-5-6-8-14;1-2-4-5-3-1;/h5-8,10-11H,3-4,9,12H2,1-2H3;1-5H;/q2*-1;
InChIKey	JVJJQQTVZUJZJV-UHFFFAOYSA-N
Literature Reference DOI	10.1002/adsc.201301156
Molecular Weight	427.325 g/mol
SMILES	[Fe].c1(nc(c2c(c1CCCC)c1c(cc2)OCO1)C)-c1ccc[cH-]1.c1cc[cH-]c1
SPLASH	splash10-004i-2001900000-ee90c005549628eb0ed3
Source of Spectrum	ASC-356-1619/SM13-7gb
Wiley ID	1762136