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N2-Benzoyl-5-methylisocytosine
SpectraBase Compound ID LT55Fr8tdbE
InChI InChI=1S/C12H11N3O2/c1-8-7-13-12(14-10(8)16)15-11(17)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15,16,17)
InChIKey HOPIFAUDYNCMKT-UHFFFAOYSA-N
Mol Weight 229.24 g/mol
Molecular Formula C12H11N3O2
Exact Mass 229.085127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KjChlCnKC0x
Name N2-Benzoyl-5-methylisocytosine
Alternate Name(s) N-(5-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)benzamide
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Formula C12H11N3O2
InChI InChI=1S/C12H11N3O2/c1-8-7-13-12(14-10(8)16)15-11(17)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15,16,17)
InChIKey HOPIFAUDYNCMKT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200690024
Molecular Weight 229.239 g/mol
SMILES N(C=1NC=C(C(N1)=O)C)C(c1ccccc1)=O
SPLASH splash10-004i-1290000000-554a676df502eb386877
Source of Spectrum H-89-225-1
Wiley ID 1785647