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3-[2-keto-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-1-yl]benzonitrile
SpectraBase Compound ID 4EZJtIg3kHd
InChI InChI=1S/C15H15N5O/c1-11-14(18-10-17-11)9-19-5-6-20(15(19)21)13-4-2-3-12(7-13)8-16/h2-4,7,10H,5-6,9H2,1H3,(H,17,18)
InChIKey MHYJUPBRZFJREB-UHFFFAOYSA-N
Mol Weight 281.32 g/mol
Molecular Formula C15H15N5O
Exact Mass 281.12766 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2APitHQ00W
Name 3-[2-keto-3-[(5-methyl-1H-imidazol-4-yl)methyl]imidazolidin-1-yl]benzonitrile
Alternate Name(s) 3-[3-[(5-methyl-1H-imidazol-4-yl)methyl]-2-oxidanylidene-imidazolidin-1-yl]benzenecarbonitrile 3-[3-[(5-methyl-1H-imidazol-4-yl)methyl]-2-oxo-imidazolidin-1-yl]benzonitrile 3-[3-[(5-methyl-1H-imidazol-4-yl)methyl]-2-oxo-1-imidazolidinyl]benzonitrile
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Formula C15H15N5O
InChI InChI=1S/C15H15N5O/c1-11-14(18-10-17-11)9-19-5-6-20(15(19)21)13-4-2-3-12(7-13)8-16/h2-4,7,10H,5-6,9H2,1H3,(H,17,18)
InChIKey MHYJUPBRZFJREB-UHFFFAOYSA-N
Molecular Weight 281.319 g/mol
SMILES [nH]1c(c(nc1)CN1C(N(CC1)c1cc(ccc1)C#N)=O)C
SPLASH splash10-0002-9000000000-74b9a7b6e12a1e2b2896
Source of Spectrum F2-40-3378-60
Wiley ID 1599398