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2-(2,4-diketo-5-methyl-pyrimidin-1-yl)acetonitrile
SpectraBase Compound ID Aliq5Yqvm5B
InChI InChI=1S/C7H7N3O2/c1-5-4-10(3-2-8)7(12)9-6(5)11/h4H,3H2,1H3,(H,9,11,12)
InChIKey UMVKCMBKTCDASG-UHFFFAOYSA-N
Mol Weight 165.15 g/mol
Molecular Formula C7H7N3O2
Exact Mass 165.053826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MPld4qq92
Name 2-(2,4-diketo-5-methyl-pyrimidin-1-yl)acetonitrile
Alternate Name(s) 2-(5-Methyl-2,4-dioxo-1-pyrimidinyl)acetonitrile 2-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)acetonitrile 2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7N3O2
InChI InChI=1S/C7H7N3O2/c1-5-4-10(3-2-8)7(12)9-6(5)11/h4H,3H2,1H3,(H,9,11,12)
InChIKey UMVKCMBKTCDASG-UHFFFAOYSA-N
Molecular Weight 165.152 g/mol
SMILES N1C(C(=CN(C1=O)CC#N)C)=O
SPLASH splash10-00kf-9500000000-3419b87465b794dafac6
Source of Spectrum SK-27-3434-2
Wiley ID 868034