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6-(4-Fluorophenyl)benzo[4,5]thieno[3,2-f]isoquinoline
SpectraBase Compound ID 4wIeb72wgRH
InChI InChI=1S/C21H12FNS/c22-15-7-5-13(6-8-15)18-11-14-12-23-10-9-16(14)20-17-3-1-2-4-19(17)24-21(18)20/h1-12H
InChIKey JNIYQFTZDYAFDV-UHFFFAOYSA-N
Mol Weight 329.39 g/mol
Molecular Formula C21H12FNS
Exact Mass 329.067449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7eSSSUzcXJK
Name 6-(4-Fluorophenyl)benzo[4,5]thieno[3,2-f]isoquinoline
Appearance Yellow solid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.067448727 u
Formula C21H12FNS
InChI InChI=1S/C21H12FNS/c22-15-7-5-13(6-8-15)18-11-14-12-23-10-9-16(14)20-17-3-1-2-4-19(17)24-21(18)20/h1-12H
InChIKey JNIYQFTZDYAFDV-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101306
Molecular Weight 329.392 g/mol
Quality 29
Reported Formula C21H12FNS
SMILES C1(=CC=C(C=C1)F)C=1C2=C(C=3C=CN=CC3C1)C1=C(S2)C=CC=C1
SPLASH splash10-004i-0009000000-6f52d48de1eb46760ad9
Source of Spectrum K1-2022-SM31-3q (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.30 (Heptane/EtOAc, 1.5:1)
Wiley ID 1899049