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2-{Amino[2-cyano-3-(3-nitrophenyl)oxiran-2-yl]-methylidene}malononitrile
SpectraBase Compound ID AioLHfdCY51
InChI InChI=1S/C13H7N5O3/c14-5-9(6-15)11(17)13(7-16)12(21-13)8-2-1-3-10(4-8)18(19)20/h1-4,12H,17H2
InChIKey BTSSXYMOYDDSNZ-UHFFFAOYSA-N
Mol Weight 281.23 g/mol
Molecular Formula C13H7N5O3
Exact Mass 281.054889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Imx226swSJk
Name 2-{Amino[2-cyano-3-(3-nitrophenyl)oxiran-2-yl]-methylidene}malononitrile
Comments Less than 3 mono-isotopic peaks
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Formula C13H7N5O3
InChI InChI=1S/C13H7N5O3/c14-5-9(6-15)11(17)13(7-16)12(21-13)8-2-1-3-10(4-8)18(19)20/h1-4,12H,17H2
InChIKey BTSSXYMOYDDSNZ-UHFFFAOYSA-N
Molecular Weight 281.231 g/mol
SMILES NC(C1(OC1c1cc(N(=O)=O)ccc1)C#N)=C(C#N)C#N
SPLASH splash10-001i-0090000000-5285d691924ef9566365
Source of Spectrum O1-46-1884-2b
Synonyms 2-[amino-[2-cyano-3-(3-nitrophenyl)-2-oxiranyl]methylidene]propanedinitrile 2-[amino-[2-cyano-3-(3-nitrophenyl)oxiran-2-yl]methylidene]propanedinitrile 2-[amino-[2-cyano-3-(3-nitrophenyl)oxiran-2-yl]methylene]propanedinitrile 2-[azanyl-[2-cyano-3-(3-nitrophenyl)oxiran-2-yl]methylidene]propanedinitrile
Wiley ID 1669410