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3-[(5-keto-10H-imidazo[2,1-b]quinazolin-2-yl)thio]propionic acid
SpectraBase Compound ID HxJXKLHNi1e
InChI InChI=1S/C13H11N3O3S/c17-11(18)5-6-20-10-7-16-12(19)8-3-1-2-4-9(8)14-13(16)15-10/h1-4,7H,5-6H2,(H,14,15)(H,17,18)
InChIKey VRPMCGMXYNXHCQ-UHFFFAOYSA-N
Mol Weight 289.31 g/mol
Molecular Formula C13H11N3O3S
Exact Mass 289.052112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kf3SXaX6W5N
Name 3-[(5-keto-10H-imidazo[2,1-b]quinazolin-2-yl)thio]propionic acid
Alternate Name(s) 3-[(5-oxidanylidene-10H-imidazo[2,1-b]quinazolin-2-yl)sulfanyl]propanoic acid 3-[(5-oxo-10H-imidazo[2,1-b]quinazolin-2-yl)sulfanyl]propanoic acid 3-[(5-oxo-10H-imidazo[2,1-b]quinazolin-2-yl)thio]propanoic acid
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Formula C13H11N3O3S
InChI InChI=1S/C13H11N3O3S/c17-11(18)5-6-20-10-7-16-12(19)8-3-1-2-4-9(8)14-13(16)15-10/h1-4,7H,5-6H2,(H,14,15)(H,17,18)
InChIKey VRPMCGMXYNXHCQ-UHFFFAOYSA-N
Molecular Weight 289.309 g/mol
SMILES N1C(SCCC(=O)O)=CN2C1=Nc1c(C2=O)cccc1
SPLASH splash10-01b9-0090000000-869521877b6e1ac79a08
Source of Spectrum J-66-4726-5
Wiley ID 1535559