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6-(o-Tolyl)benzo[4,5]thieno[3,2-f]isoquinoline
SpectraBase Compound ID BRkCX9j0pcN
InChI InChI=1S/C22H15NS/c1-14-6-2-3-7-16(14)19-12-15-13-23-11-10-17(15)21-18-8-4-5-9-20(18)24-22(19)21/h2-13H,1H3
InChIKey MLBZIXQBYCFSDI-UHFFFAOYSA-N
Mol Weight 325.43 g/mol
Molecular Formula C22H15NS
Exact Mass 325.092521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZWHKFgQCJP
Name 6-(o-Tolyl)benzo[4,5]thieno[3,2-f]isoquinoline
Appearance Yellow oil
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15NS
InChI InChI=1S/C22H15NS/c1-14-6-2-3-7-16(14)19-12-15-13-23-11-10-17(15)21-18-8-4-5-9-20(18)24-22(19)21/h2-13H,1H3
InChIKey MLBZIXQBYCFSDI-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101306
Molecular Weight 325.429 g/mol
Quality 295
Reported Formula C22H15NS
SMILES C1(=CC=CC=C1C)C=1C2=C(C=3C=CN=CC3C1)C1=C(S2)C=CC=C1
SPLASH splash10-004i-0009000000-b8fdb46fefd4a150cee2
Source of Spectrum K1-2022-SM29-3o (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.33 (Heptane/EtOAc, 1:1)
Wiley ID 1899047