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Ethyl 3-amino-5-cyano-1-phenyl-6-(1H-1-pyrrolyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SpectraBase Compound ID 7J9P5sMdH7q
InChI InChI=1S/C21H17N5O2/c1-2-28-21(27)18-17(23)16-12-14(13-22)19(25-10-6-7-11-25)24-20(16)26(18)15-8-4-3-5-9-15/h3-12H,2,23H2,1H3
InChIKey JUCSQRIOXPYKEI-UHFFFAOYSA-N
Mol Weight 371.4 g/mol
Molecular Formula C21H17N5O2
Exact Mass 371.138225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ANgzVmx16
Name Ethyl 3-amino-5-cyano-1-phenyl-6-(1H-1-pyrrolyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
Appearance buff
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Formula C21H17N5O2
InChI InChI=1S/C21H17N5O2/c1-2-28-21(27)18-17(23)16-12-14(13-22)19(25-10-6-7-11-25)24-20(16)26(18)15-8-4-3-5-9-15/h3-12H,2,23H2,1H3
InChIKey JUCSQRIOXPYKEI-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2648
Molecular Weight 371.400 g/mol
SMILES Nc1c2cc(c(nc2[n](c1C(OCC)=O)-c1ccccc1)-[n]1cccc1)C#N
SPLASH splash10-0059-6092000000-756e5e2faa02d60ad77a
Source of Spectrum Y-54-877-19
Wiley ID 1877966