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6-Chloro-5-cyano-3,4-dihydropyrimidin-4-one
SpectraBase Compound ID 5QJ5pvcmp1F
InChI InChI=1S/C5H2ClN3O/c6-4-3(1-7)5(10)9-2-8-4/h2H,(H,8,9,10)
InChIKey PEBPXXOYLASTAA-UHFFFAOYSA-N
Mol Weight 155.54 g/mol
Molecular Formula C5H2ClN3O
Exact Mass 154.988639 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKGpfNbDvGU
Name 4-Chloro-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile
Alternate Name(s) 6-Chloranyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile 6-Chloro-4-keto-1H-pyrimidine-5-carbonitrile 6-Chloro-4-oxo-1H-pyrimidine-5-carbonitrile 6-Oxo-4-chloro-5-cyano-1,6-dihydropyrimidine
CAS Registry Number 5305-43-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H2ClN3O
InChI InChI=1S/C5H2ClN3O/c6-4-3(1-7)5(10)9-2-8-4/h2H,(H,8,9,10)
InChIKey PEBPXXOYLASTAA-UHFFFAOYSA-N
Molecular Weight 155.544 g/mol
SMILES N1C(=C(C(N=C1)=O)C#N)Cl
SPLASH splash10-0a4l-9800000000-fec4a99d37d3bbba42ca
Source of Spectrum SS-5-12-0
Wiley ID 1152561