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3-Ferrocenyl-1,4,7-trimethylisoquinoline

View entire compound with spectra: 1 MS (GC)

3-Ferrocenyl-1,4,7-trimethylisoquinoline
SpectraBase Compound ID IQJI9S8SJjb
InChI InChI=1S/C17H16N.C5H5.Fe/c1-11-8-9-15-12(2)17(14-6-4-5-7-14)18-13(3)16(15)10-11;1-2-4-5-3-1;/h4-10H,1-3H3;1-5H;/q2*-1;
InChIKey HKRMPUCSGJFQOS-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 GxFQYJB9gvG
Name 3-Ferrocenyl-1,4,7-trimethylisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21FeN
InChI InChI=1S/C17H16N.C5H5.Fe/c1-11-8-9-15-12(2)17(14-6-4-5-7-14)18-13(3)16(15)10-11;1-2-4-5-3-1;/h4-10H,1-3H3;1-5H;/q2*-1;
InChIKey HKRMPUCSGJFQOS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201301156
Molecular Weight 355.262 g/mol
SMILES [Fe].c1(nc(c2c(c1C)ccc(c2)C)C)-c1ccc[cH-]1.c1cc[cH-]c1
SPLASH splash10-0a4i-0149000000-fea8f0dd7787d5e450a8
Source of Spectrum ASC-356-1619/SM10-7fa
Wiley ID 1762133