8-Ferrocenyl-6,9-dimethyl-[1,3]dioxolo[4,5-f]isoquinoline

SpectraBase Compound ID	HH0R4c0Iobr
InChI	InChI=1S/C17H14NO2.C5H5.Fe/c1-10-15-13(7-8-14-17(15)20-9-19-14)11(2)18-16(10)12-5-3-4-6-12;1-2-4-5-3-1;/h3-8H,9H2,1-2H3;1-5H;/q2*-1;
InChIKey	VBSWXPJNQJAVRP-UHFFFAOYSA-N Google Search
Mol Weight	385.24 g/mol
Molecular Formula	C22H19FeNO2
Exact Mass	385.076515 g/mol

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SpectraBase Spectrum ID	5udEcHWP7tU
Name	8-Ferrocenyl-6,9-dimethyl-[1,3]dioxolo[4,5-f]isoquinoline
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H19FeNO2
InChI	InChI=1S/C17H14NO2.C5H5.Fe/c1-10-15-13(7-8-14-17(15)20-9-19-14)11(2)18-16(10)12-5-3-4-6-12;1-2-4-5-3-1;/h3-8H,9H2,1-2H3;1-5H;/q2*-1;
InChIKey	VBSWXPJNQJAVRP-UHFFFAOYSA-N
Literature Reference DOI	10.1002/adsc.201301156
Molecular Weight	385.244 g/mol
SMILES	[Fe].c1(nc(c2c(c1C)c1c(cc2)OCO1)C)-c1ccc[cH-]1.c1cc[cH-]c1
SPLASH	splash10-000i-0019000000-14b736f546334610ed7d
Source of Spectrum	ASC-356-1619/SM12-7ga
Wiley ID	1762135