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5-(1H-pyrrolo[2,3-b]pyridin-1-yl)pyrido[3,2-b]thieno[3,2-g]indolizine
SpectraBase Compound ID COqwr3Lf43T
InChI InChI=1S/C20H12N4S/c1-3-13-5-9-23(19(13)21-7-1)17-12-14-6-10-25-18(14)16-11-15-4-2-8-22-20(15)24(16)17/h1-12H
InChIKey VQVLMEOWAUFMTA-UHFFFAOYSA-N
Mol Weight 340.4 g/mol
Molecular Formula C20H12N4S
Exact Mass 340.078268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CsAewFxAHaa
Name 5-(1H-pyrrolo[2,3-b]pyridin-1-yl)pyrido[3,2-b]thieno[3,2-g]indolizine
Appearance Bright yellow solid
Carrier Gas Helium
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Exact Mass 340.078267576 u
Formula C20H12N4S
GC Column HP-5
InChI InChI=1S/C20H12N4S/c1-3-13-5-9-23(19(13)21-7-1)17-12-14-6-10-25-18(14)16-11-15-4-2-8-22-20(15)24(16)17/h1-12H
InChIKey VQVLMEOWAUFMTA-UHFFFAOYSA-N
Instrument Name Agilent HP-5890-Agilent HP-5973 MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.202301038
Molecular Weight 340.404 g/mol
Quality 15
Reported Formula C20H12N4S
SMILES C1=2C=3N(C(=CC2C=CS1)N1C=CC2=C1N=CC=C2)C1=C(C3)C=CC=N1
SPLASH splash10-0006-0109000000-aa5b3f390897d65b1138
Source of Spectrum QE-29-SM10-3k (DOI: 10.1002/chem.202301038)
Thin-Layer Chromatography 0.18 (Hept)
Wiley ID 1911976