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9-fluoro-5-(5-fluoro-1H-indol-1-yl)thieno[3',4':3,4]pyrido[1,2-a]indole
SpectraBase Compound ID K1hksOHsyVY
InChI InChI=1S/C22H12F2N2S/c23-16-1-3-19-13(7-16)5-6-25(19)22-10-15-11-27-12-18(15)21-9-14-8-17(24)2-4-20(14)26(21)22/h1-12H
InChIKey SIONVAIKOMWSRO-UHFFFAOYSA-N
Mol Weight 374.41 g/mol
Molecular Formula C22H12F2N2S
Exact Mass 374.068926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IU8i2eHOfLJ
Name 9-fluoro-5-(5-fluoro-1H-indol-1-yl)thieno[3',4':3,4]pyrido[1,2-a]indole
Appearance Light brown solid
Carrier Gas Helium
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Exact Mass 374.068925894 u
Formula C22H12F2N2S
GC Column HP-5
InChI InChI=1S/C22H12F2N2S/c23-16-1-3-19-13(7-16)5-6-25(19)22-10-15-11-27-12-18(15)21-9-14-8-17(24)2-4-20(14)26(21)22/h1-12H
InChIKey SIONVAIKOMWSRO-UHFFFAOYSA-N
Instrument Name Agilent HP-5890-Agilent HP-5973 MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.202301038
Molecular Weight 374.409 g/mol
Quality 76
Reported Formula C22H12N2F2S
SMILES C=12N(C(=CC=3C2=CSC3)N2C3=C(C=C2)C=C(C=C3)F)C2=C(C1)C=C(C=C2)F
SPLASH splash10-00di-0209000000-076681137035486cdc94
Source of Spectrum QE-29-SM16-3m (DOI: 10.1002/chem.202301038)
Thin-Layer Chromatography 0.14 (Hept)
Wiley ID 1911978