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3-Amino-4-(3,5-dibromo-4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carbonitrile
SpectraBase Compound ID cJVCTBAY4R
InChI InChI=1S/C21H13Br2N3OS/c1-27-20-14(22)7-12(8-15(20)23)13-9-16(11-5-3-2-4-6-11)26-21-18(13)19(25)17(10-24)28-21/h2-9H,25H2,1H3
InChIKey XFYOKGHZCWBFGC-UHFFFAOYSA-N
Mol Weight 515.22 g/mol
Molecular Formula C21H13Br2N3OS
Exact Mass 512.914609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfzBUMj4BDh
Name 3-Amino-4-(3,5-dibromo-4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carbonitrile
Appearance Yellow crystals
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Formula C21H13Br2N3OS
InChI InChI=1S/C21H13Br2N3OS/c1-27-20-14(22)7-12(8-15(20)23)13-9-16(11-5-3-2-4-6-11)26-21-18(13)19(25)17(10-24)28-21/h2-9H,25H2,1H3
InChIKey XFYOKGHZCWBFGC-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3444
Molecular Weight 515.223 g/mol
SMILES Nc1c2c(cc(nc2sc1C#N)-c1ccccc1)-c1cc(c(c(c1)Br)OC)Br
SPLASH splash10-000i-0000900000-c0b330b230d486081965
Source of Spectrum Y-56-658-10c
Wiley ID 1859435