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4-n-Butyl-3-(4-fluorophenyl)-1-methylisoquinoline

View entire compound with spectra: 1 MS (GC)

4-n-Butyl-3-(4-fluorophenyl)-1-methylisoquinoline
SpectraBase Compound ID KgQa1guj7Wd
InChI InChI=1S/C20H20FN/c1-3-4-7-19-18-9-6-5-8-17(18)14(2)22-20(19)15-10-12-16(21)13-11-15/h5-6,8-13H,3-4,7H2,1-2H3
InChIKey OTAJCZLWVKWULR-UHFFFAOYSA-N
Mol Weight 293.39 g/mol
Molecular Formula C20H20FN
Exact Mass 293.157978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IgvwPreug61
Name 4-n-Butyl-3-(4-fluorophenyl)-1-methylisoquinoline
Alternate Name(s) 4-Butyl-3-(4-fluorophenyl)-1-methylisoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20FN
InChI InChI=1S/C20H20FN/c1-3-4-7-19-18-9-6-5-8-17(18)14(2)22-20(19)15-10-12-16(21)13-11-15/h5-6,8-13H,3-4,7H2,1-2H3
InChIKey OTAJCZLWVKWULR-UHFFFAOYSA-N
Molecular Weight 293.385 g/mol
SMILES c1cccc2c1c(nc(c2CCCC)-c1ccc(cc1)F)C
SPLASH splash10-0udi-0090000000-c058b2e17bc410175d88
Source of Spectrum J-77-9196-3an
Wiley ID 1747134