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5-(1H-indol-1-yl)thieno[2',3':3,4]pyrido[1,2-a]indole
SpectraBase Compound ID FjIxTOETYVA
InChI InChI=1S/C22H14N2S/c1-3-7-18-15(5-1)9-11-23(18)21-14-17-10-12-25-22(17)20-13-16-6-2-4-8-19(16)24(20)21/h1-14H
InChIKey PVNCWIUWNAGLPG-UHFFFAOYSA-N
Mol Weight 338.43 g/mol
Molecular Formula C22H14N2S
Exact Mass 338.08777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lk2vZkgEgR0
Name 5-(1H-indol-1-yl)thieno[2',3':3,4]pyrido[1,2-a]indole
Appearance Brown solid
Carrier Gas Helium
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Exact Mass 338.087769633 u
Formula C22H14N2S
GC Column HP-5
InChI InChI=1S/C22H14N2S/c1-3-7-18-15(5-1)9-11-23(18)21-14-17-10-12-25-22(17)20-13-16-6-2-4-8-19(16)24(20)21/h1-14H
InChIKey PVNCWIUWNAGLPG-UHFFFAOYSA-N
Instrument Name Agilent HP-5890-Agilent HP-5973 MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.202301038
Molecular Weight 338.428 g/mol
Quality 107
Reported Formula C22H14N2S
SMILES C1=CSC2=C1C=C(N1C2=CC2=C1C=CC=C2)N1C2=C(C=C1)C=CC=C2
SPLASH splash10-000i-5209000000-25faed3721c6219f8e08
Source of Spectrum QE-29-SM12-3g (DOI: 10.1002/chem.202301038)
Thin-Layer Chromatography 0.19 (Hept)
Wiley ID 1911973