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Benzonitrile, 2-[5-[2-(1,6-dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-2-furanyl]-
SpectraBase Compound ID 4AdVECRUT2n
InChI InChI=1S/C17H10N4O5/c18-9-10-3-1-2-4-12(10)13-7-5-11(26-13)6-8-14-19-16(22)15(21(24)25)17(23)20-14/h1-8H,(H2,19,20,22,23)/b8-6+
InChIKey QUFBCEBHGUHEIM-SOFGYWHQSA-N
Mol Weight 350.29 g/mol
Molecular Formula C17H10N4O5
Exact Mass 350.065119 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HjOo8tsCgfB
Name Benzonitrile, 2-[5-[2-(1,6-dihydro-4-hydroxy-5-nitro-6-oxo-2-pyrimidinyl)ethenyl]-2-furanyl]-
Alternate Name(s) 2-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]-2-furanyl]benzonitrile 2-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzonitrile 2-[5-[(E)-2-(4-hydroxy-5-nitro-6-oxo-1H-pyrimidin-2-yl)vinyl]-2-furyl]benzonitrile 2-[5-[(E)-2-(5-nitro-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)ethenyl]furan-2-yl]benzenecarbonitrile
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Formula C17H10N4O5
InChI InChI=1S/C17H10N4O5/c18-9-10-3-1-2-4-12(10)13-7-5-11(26-13)6-8-14-19-16(22)15(21(24)25)17(23)20-14/h1-8H,(H2,19,20,22,23)/b8-6+
InChIKey QUFBCEBHGUHEIM-SOFGYWHQSA-N
Molecular Weight 350.290 g/mol
SMILES N1C(=NC(=C(C1=O)N(=O)=O)O)\C=C\c1oc(-c2c(C#N)cccc2)cc1
SPLASH splash10-001l-8910000000-09a2335d135f58a0f5da
Source of Spectrum IY-1-4488-5
Wiley ID 1652868