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3-Pyridinecarbonitrile, 2,4-diamino-1,6-dihydro-5-iodo-6-oxo-
SpectraBase Compound ID GzH4jEa8pqd
InChI InChI=1S/C6H5IN4O/c7-3-4(9)2(1-8)5(10)11-6(3)12/h(H5,9,10,11,12)
InChIKey ZVRHBVGTXQRBDF-UHFFFAOYSA-N
Mol Weight 276.04 g/mol
Molecular Formula C6H5IN4O
Exact Mass 275.950806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5M53B4AEt9
Name 3-Pyridinecarbonitrile, 2,4-diamino-1,6-dihydro-5-iodo-6-oxo-
CAS Registry Number 102827-35-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5IN4O
InChI InChI=1S/C6H5IN4O/c7-3-4(9)2(1-8)5(10)11-6(3)12/h(H5,9,10,11,12)
InChIKey ZVRHBVGTXQRBDF-UHFFFAOYSA-N
Molecular Weight 276.037 g/mol
SMILES N1C(C(=C(C(=C1N)C#N)N)I)=O
SPLASH splash10-004i-0090000000-ec78b7a1f164722e62bb
Source of Spectrum AH-116-1205-4
Synonyms 2,4-Diamino-5-iodo-6-oxo-1,6-dihydro-3-pyridinecarbonitrile 2-Oxo-3-iodo-4,5-diamino-5-cyano-1(H)-pyridine
Wiley ID 1279412