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1-Ethyl-3-ferrocenyl-4-methylisoquinoline

View entire compound with spectra: 1 MS (GC)

1-Ethyl-3-ferrocenyl-4-methylisoquinoline
SpectraBase Compound ID 3mwuYAboKMn
InChI InChI=1S/C17H16N.C5H5.Fe/c1-3-16-15-11-7-6-10-14(15)12(2)17(18-16)13-8-4-5-9-13;1-2-4-5-3-1;/h4-11H,3H2,1-2H3;1-5H;/q2*-1;
InChIKey CMXGVUFXIMODFP-UHFFFAOYSA-N
Mol Weight 355.26 g/mol
Molecular Formula C22H21FeN
Exact Mass 355.102336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7wU1HRnNHg
Name 1-Ethyl-3-ferrocenyl-4-methylisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21FeN
InChI InChI=1S/C17H16N.C5H5.Fe/c1-3-16-15-11-7-6-10-14(15)12(2)17(18-16)13-8-4-5-9-13;1-2-4-5-3-1;/h4-11H,3H2,1-2H3;1-5H;/q2*-1;
InChIKey CMXGVUFXIMODFP-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201301156
Molecular Weight 355.262 g/mol
SMILES [Fe].c1(nc(c2c(c1C)cccc2)CC)-c1ccc[cH-]1.c1cc[cH-]c1
SPLASH splash10-0a4i-0129000000-f560dc17c8ca6ac9d81b
Source of Spectrum ASC-356-1619/SM5-7ba
Wiley ID 1762129