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6-Phenylbenzo[4,5]thieno[3,2-f]isoquinoline
SpectraBase Compound ID 4bRBLaPcbRE
InChI InChI=1S/C21H13NS/c1-2-6-14(7-3-1)18-12-15-13-22-11-10-16(15)20-17-8-4-5-9-19(17)23-21(18)20/h1-13H
InChIKey HXTKMWPHTGFJPG-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C21H13NS
Exact Mass 311.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 947lH5ZZALs
Name 6-Phenylbenzo[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 311.076870597 u
Formula C21H13NS
InChI InChI=1S/C21H13NS/c1-2-6-14(7-3-1)18-12-15-13-22-11-10-16(15)20-17-8-4-5-9-19(17)23-21(18)20/h1-13H
InChIKey HXTKMWPHTGFJPG-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95-XP
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101306
Molecular Weight 311.402 g/mol
Quality 268
Reported Formula C21H13NS
SMILES C1(=CC=CC=C1)C=1C2=C(C=3C=CN=CC3C1)C1=C(S2)C=CC=C1
SPLASH splash10-03di-0009000000-cb8a3bca9cf624a9d8b5
Source of Spectrum K1-2022-SM27-3k (DOI: 10.1002/ejoc.202101306)
Thin-Layer Chromatography 0.40 (Heptane/EtOAc, 1:1)
Wiley ID 1899043