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4-(4-(Trifluoromethyl)phenyl)thieno[3,2-f]isoquinoline
SpectraBase Compound ID C17xld3gYGg
InChI InChI=1S/C18H10F3NS/c19-18(20,21)13-3-1-11(2-4-13)16-9-12-10-22-7-5-14(12)15-6-8-23-17(15)16/h1-10H
InChIKey RHKQYSFOXQAOLJ-UHFFFAOYSA-N
Mol Weight 329.34 g/mol
Molecular Formula C18H10F3NS
Exact Mass 329.048605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFH0P0ZDhUN
Name 4-(4-(Trifluoromethyl)phenyl)thieno[3,2-f]isoquinoline
Appearance Yellow solid
Carrier Gas Helium
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Formula C18H10F3NS
InChI InChI=1S/C18H10F3NS/c19-18(20,21)13-3-1-11(2-4-13)16-9-12-10-22-7-5-14(12)15-6-8-23-17(15)16/h1-10H
InChIKey RHKQYSFOXQAOLJ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101306
Molecular Weight 329.340 g/mol
Quality 180
Reported Formula C18H10NF3S
SMILES C1(=CC=C(C=C1)C(F)(F)F)C=1C2=C(C3=C(C1)C=NC=C3)C=CS2
SPLASH splash10-004i-0009000000-84190d198b6b5e57d563
Source of Spectrum K1-2022-SM23-3d (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.25 (Heptane/EtOAc, 1:1)
Wiley ID 1899036