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(4E)-2-methyl-4-(4-nitrobenzylidene)-2-oxazolin-5-one
SpectraBase Compound ID 5QFNmpAyK5s
InChI InChI=1S/C11H8N2O4/c1-7-12-10(11(14)17-7)6-8-2-4-9(5-3-8)13(15)16/h2-6H,1H3/b10-6+
InChIKey ODNSPFZFMYOBLW-UXBLZVDNSA-N
Mol Weight 232.19 g/mol
Molecular Formula C11H8N2O4
Exact Mass 232.048407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zsHNk2BdtV
Name (4E)-2-methyl-4-(4-nitrobenzylidene)-2-oxazolin-5-one
Alternate Name(s) (4E)-2-methyl-4-[(4-nitrophenyl)methylene]oxazol-5-one (4E)-2-methyl-4-[(4-nitrophenyl)methylidene]-1,3-oxazol-5-one (4E)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxazolone
Comments Less than 3 mono-isotopic peaks
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Formula C11H8N2O4
InChI InChI=1S/C11H8N2O4/c1-7-12-10(11(14)17-7)6-8-2-4-9(5-3-8)13(15)16/h2-6H,1H3/b10-6+
InChIKey ODNSPFZFMYOBLW-UXBLZVDNSA-N
Molecular Weight 232.195 g/mol
SMILES C1(=N\C(C(O1)=O)=C/c1ccc(N(=O)=O)cc1)C
SPLASH splash10-001i-0390000000-953bd1bd49878ab38965
Source of Spectrum SO-0-794-2
Wiley ID 1543453