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Diethyl 3,5-Diamino-4-phenyldithieno[3',2':e:2,3-b]pyridine-2,6-dicarboxylate
SpectraBase Compound ID 1yLvREO5Al1
InChI InChI=1S/C21H19N3O4S2/c1-3-27-20(25)16-14(22)12-11(10-8-6-5-7-9-10)13-15(23)17(21(26)28-4-2)30-19(13)24-18(12)29-16/h5-9H,3-4,22-23H2,1-2H3
InChIKey CIYUUAZNTATZEE-UHFFFAOYSA-N
Mol Weight 441.52 g/mol
Molecular Formula C21H19N3O4S2
Exact Mass 441.081698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FuQxOvD5dlw
Name Diethyl 3,5-Diamino-4-phenyldithieno[3',2':e:2,3-b]pyridine-2,6-dicarboxylate
Alternate Name(s) Diethyl 3,5-diamino-4-phenyldithieno[2,3-b:3,2-e]pyridine-2,6-dicarboxylate
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Formula C21H19N3O4S2
InChI InChI=1S/C21H19N3O4S2/c1-3-27-20(25)16-14(22)12-11(10-8-6-5-7-9-10)13-15(23)17(21(26)28-4-2)30-19(13)24-18(12)29-16/h5-9H,3-4,22-23H2,1-2H3
InChIKey CIYUUAZNTATZEE-UHFFFAOYSA-N
Molecular Weight 441.520 g/mol
SMILES Nc1c2c(c3c(sc(c3N)C(=O)OCC)nc2sc1C(=O)OCC)-c1ccccc1
SPLASH splash10-0006-0004900000-8a90d84f34f8666796b2
Source of Spectrum H1-38-1304-10
Wiley ID 756427