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3-Amino-6-chloro-5-cyano-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SpectraBase Compound ID HiaHsdtrvVj
InChI InChI=1S/C9H6ClN5O/c10-7-3(2-11)1-4-5(12)6(8(13)16)14-9(4)15-7/h1H,12H2,(H2,13,16)(H,14,15)
InChIKey LCKOGGPIUBHIJR-UHFFFAOYSA-N
Mol Weight 235.63 g/mol
Molecular Formula C9H6ClN5O
Exact Mass 235.026088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZoyAb3JA8u
Name 3-Amino-6-chloro-5-cyano-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
Appearance Brown crystals
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Formula C9H6ClN5O
InChI InChI=1S/C9H6ClN5O/c10-7-3(2-11)1-4-5(12)6(8(13)16)14-9(4)15-7/h1H,12H2,(H2,13,16)(H,14,15)
InChIKey LCKOGGPIUBHIJR-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2420
Molecular Weight 235.634 g/mol
SMILES [nH]1c(c(c2cc(c(nc12)Cl)C#N)N)C(=O)N
SPLASH splash10-001i-0900000000-afdcdf79eda249ffbb1f
Source of Spectrum Y-53-1308-16
Wiley ID 1876547