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4(3H)-Pyrimidinone
SpectraBase Compound ID 1EbGQUT4yyw
InChI InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)
InChIKey DNCYBUMDUBHIJZ-UHFFFAOYSA-N
Mol Weight 96.09 g/mol
Molecular Formula C4H4N2O
Exact Mass 96.032363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCAiSfyqIXP
Name 4(1H)-Pyrimidinone
Alternate Name(s) 4(3H)-Pyrimidinone 1H-pyrimidin-4-one 1H-pyrimidin-6-one 3H-pyrimidin-4-one 4(3H)-pyrimidone 4(6)-hydroxypyrimidine 4-Pyrimidinol 4-Hydroxypyrimidine 4-Oxopyrimidine 4-Oxypyrimidine 4-Pyrimidinone 4-Pyrimidone 6-Hydroxypyrimidine Deaminoisocytosine Pyrimidin-4(1H)-one Pyrimidin-4-ol Pyrimidine, 4-hydroxy- AI3-52024 EINECS 224-932-4 NSC 1575 NSC 157911
CAS Registry Number 51953-17-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H4N2O
InChI InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7)
InChIKey DNCYBUMDUBHIJZ-UHFFFAOYSA-N
Molecular Weight 96.089 g/mol
SMILES Oc1ncncc1
SPLASH splash10-00kg-9000000000-39b606a398b9d7fe1d19
Source of Spectrum W5-1989-26723-1
Wiley ID 1118055