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Diethyl 3,5-Di(pyrrol-1-yl)-4-phenyldithieno[3',2':e:2,3-b]pyridine-2,6-dicarboxylate
SpectraBase Compound ID LX20xBj98Mf
InChI InChI=1S/C29H23N3O4S2/c1-3-35-28(33)24-22(31-14-8-9-15-31)20-19(18-12-6-5-7-13-18)21-23(32-16-10-11-17-32)25(29(34)36-4-2)38-27(21)30-26(20)37-24/h5-17H,3-4H2,1-2H3
InChIKey NYPIJHFUERYTLB-UHFFFAOYSA-N
Mol Weight 541.64 g/mol
Molecular Formula C29H23N3O4S2
Exact Mass 541.112999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JW3loTVQisy
Name Diethyl 3,5-Di(pyrrol-1-yl)-4-phenyldithieno[3',2':e:2,3-b]pyridine-2,6-dicarboxylate
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Formula C29H23N3O4S2
InChI InChI=1S/C29H23N3O4S2/c1-3-35-28(33)24-22(31-14-8-9-15-31)20-19(18-12-6-5-7-13-18)21-23(32-16-10-11-17-32)25(29(34)36-4-2)38-27(21)30-26(20)37-24/h5-17H,3-4H2,1-2H3
InChIKey NYPIJHFUERYTLB-UHFFFAOYSA-N
Molecular Weight 541.640 g/mol
SMILES c1(c(c2c(c3c(-[n]4cccc4)c(sc3nc2s1)C(=O)OCC)-c1ccccc1)-[n]1cccc1)C(=O)OCC
SPLASH splash10-0006-0002090000-1b722876888846aed289
Source of Spectrum H1-38-1304-11
Synonyms Diethyl 4-phenyl-3,5-di(1H-pyrrol-1-yl)dithieno[2,3-b:3,2-e]pyridine-2,6-dicarboxylate
Wiley ID 756426