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Methyl 3-amino-6-[2-(4-aminophenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
SpectraBase Compound ID 7SoL26fzZ7J
InChI InChI=1S/C17H13N3O2S/c1-22-17(21)16-14(19)15-13(23-16)8-11(9-20-15)3-2-10-4-6-12(18)7-5-10/h4-9H,18-19H2,1H3
InChIKey PABCEHVXWTVVDV-UHFFFAOYSA-N
Mol Weight 323.37 g/mol
Molecular Formula C17H13N3O2S
Exact Mass 323.072848 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FrVD5jDq1Hx
Name Methyl 3-amino-6-[2-(4-aminophenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
Alternate Name(s) 3-amino-6-[2-(4-aminophenyl)ethynyl]-2-thieno[3,2-b]pyridinecarboxylic acid methyl ester methyl 6-[2-(4-aminophenyl)ethynyl]-3-azanyl-thieno[3,2-b]pyridine-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C17H13N3O2S
InChI InChI=1S/C17H13N3O2S/c1-22-17(21)16-14(19)15-13(23-16)8-11(9-20-15)3-2-10-4-6-12(18)7-5-10/h4-9H,18-19H2,1H3
InChIKey PABCEHVXWTVVDV-UHFFFAOYSA-N
Molecular Weight 323.370 g/mol
SMILES Nc1ccc(C#Cc2cc3sc(c(c3nc2)N)C(=O)OC)cc1
SPLASH splash10-00di-0049000000-2ccf5daf5f8b6057abd8
Source of Spectrum F2-46-238-2g
Wiley ID 1689836