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3-METHYLPYRIMIDIN-4-ONE
SpectraBase Compound ID Aji2HrTEdFr
InChI InChI=1S/C5H6N2O/c1-7-4-6-3-2-5(7)8/h2-4H,1H3
InChIKey PSXLJUKMMIHADB-UHFFFAOYSA-N
Mol Weight 110.12 g/mol
Molecular Formula C5H6N2O
Exact Mass 110.048013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PqdbRWYLqu
Name 4(3H)-Pyrimidinone, 3-methyl-
Alternate Name(s) 3-Methyl-4(3H)-pyrimidinone 3-Methyl-4-pyrimidinone 3-Methylpyrimidin-4(3H)-one 3-Methylpyrimidin-4-one 6-(1H)-Pyrimidinone, 1-methyl-
CAS Registry Number 6104-45-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H6N2O
InChI InChI=1S/C5H6N2O/c1-7-4-6-3-2-5(7)8/h2-4H,1H3
InChIKey PSXLJUKMMIHADB-UHFFFAOYSA-N
Molecular Weight 110.116 g/mol
SMILES CN1C(C=CN=C1)=O
SPLASH splash10-03dl-9800000000-294efb7f9acd7ca3583e
Source of Spectrum O-25-115-1
Wiley ID 1122303