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1-Cyclopropyl-3-ferrocenyl-4-methylisoquinoline
SpectraBase Compound ID F5KHXCeB928
InChI InChI=1S/C18H16N.C5H5.Fe/c1-12-15-8-4-5-9-16(15)18(14-10-11-14)19-17(12)13-6-2-3-7-13;1-2-4-5-3-1;/h2-9,14H,10-11H2,1H3;1-5H;/q2*-1;
InChIKey BNTKJLGREPTJFS-UHFFFAOYSA-N
Mol Weight 367.27 g/mol
Molecular Formula C23H21FeN
Exact Mass 367.102336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bGVwmsBczQ
Name 1-Cyclopropyl-3-ferrocenyl-4-methylisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21FeN
InChI InChI=1S/C18H16N.C5H5.Fe/c1-12-15-8-4-5-9-16(15)18(14-10-11-14)19-17(12)13-6-2-3-7-13;1-2-4-5-3-1;/h2-9,14H,10-11H2,1H3;1-5H;/q2*-1;
InChIKey BNTKJLGREPTJFS-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201301156
Molecular Weight 367.273 g/mol
SMILES [Fe].c1(nc(c2c(c1C)cccc2)C1CC1)-c1ccc[cH-]1.c1cc[cH-]c1
SPLASH splash10-014i-2119000000-8f6df7080db7788ac5a4
Source of Spectrum ASC-356-1619/SM7-7da
Wiley ID 1762131