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(4E)-2-methyl-4-piperonylidene-2-oxazolin-5-one
SpectraBase Compound ID 5O7kJB6QDbV
InChI InChI=1S/C12H9NO4/c1-7-13-9(12(14)17-7)4-8-2-3-10-11(5-8)16-6-15-10/h2-5H,6H2,1H3/b9-4+
InChIKey YIPBMFCRAFHCPQ-RUDMXATFSA-N
Mol Weight 231.21 g/mol
Molecular Formula C12H9NO4
Exact Mass 231.053158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FVaaR9trngd
Name (4E)-2-methyl-4-piperonylidene-2-oxazolin-5-one
Comments Less than 3 mono-isotopic peaks
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Formula C12H9NO4
InChI InChI=1S/C12H9NO4/c1-7-13-9(12(14)17-7)4-8-2-3-10-11(5-8)16-6-15-10/h2-5H,6H2,1H3/b9-4+
InChIKey YIPBMFCRAFHCPQ-RUDMXATFSA-N
Molecular Weight 231.207 g/mol
SMILES C1(=N\C(C(O1)=O)=C/c1cc2OCOc2cc1)C
SPLASH splash10-03e9-0970000000-e9dd381ed0b878de1402
Source of Spectrum SO-0-794-2
Synonyms (4E)-4-(1,3-benzodioxol-5-ylmethylene)-2-methyl-1,3-oxazol-5(4H)-one (4E)-4-(1,3-benzodioxol-5-ylmethylene)-2-methyl-oxazol-5-one (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-1,3-oxazol-5-one (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-5-oxazolone
Wiley ID 1543458