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4-n-Butyl-3-ferrocenylisoquinolin-1(2H)-one

View entire compound with spectra: 1 MS (GC)

4-n-Butyl-3-ferrocenylisoquinolin-1(2H)-one
SpectraBase Compound ID 5ive8CHHlkw
InChI InChI=1S/C18H18NO.C5H5.Fe/c1-2-3-10-15-14-11-6-7-12-16(14)18(20)19-17(15)13-8-4-5-9-13;1-2-4-5-3-1;/h4-9,11-12H,2-3,10H2,1H3,(H,19,20);1-5H;/q2*-1;
InChIKey UXUJOJGPKUJNSV-UHFFFAOYSA-N
Mol Weight 385.29 g/mol
Molecular Formula C23H23FeNO
Exact Mass 385.1129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CYppY80Hnb5
Name 4-n-Butyl-3-ferrocenylisoquinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23FeNO
InChI InChI=1S/C18H18NO.C5H5.Fe/c1-2-3-10-15-14-11-6-7-12-16(14)18(20)19-17(15)13-8-4-5-9-13;1-2-4-5-3-1;/h4-9,11-12H,2-3,10H2,1H3,(H,19,20);1-5H;/q2*-1;
InChIKey UXUJOJGPKUJNSV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201301156
Molecular Weight 385.288 g/mol
SMILES [Fe].N1C(c2ccccc2C(=C1c1ccc[cH-]1)CCCC)=O.c1cc[cH-]c1
SPLASH splash10-007c-0229000000-1dabffc60184d674d2ab
Source of Spectrum ASC-356-1619/SM20-8ab
Wiley ID 1762138