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METHYL-(E)-3-(1,3-BENZODIOXOL-5-YL)-2-CYANO-ACRYLATE
SpectraBase Compound ID 8LPbxagphvi
InChI InChI=1S/C12H9NO4/c1-15-12(14)9(6-13)4-8-2-3-10-11(5-8)17-7-16-10/h2-5H,7H2,1H3/b9-4+
InChIKey IUOSQCONBLAUEC-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 B1xHk087uee
Name 3-Benzo[1,3]dioxol-5-yl-2-cyano-acrylic acid methyl ester
Alternate Name(s) (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid methyl ester (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-acrylic acid methyl ester Methyl (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate
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Formula C12H9NO4
InChI InChI=1S/C12H9NO4/c1-15-12(14)9(6-13)4-8-2-3-10-11(5-8)17-7-16-10/h2-5H,7H2,1H3/b9-4+
InChIKey IUOSQCONBLAUEC-RUDMXATFSA-N
Molecular Weight 231.207 g/mol
SMILES c12c(ccc(c2)\C=C\(C(OC)=O)C#N)OCO1
SPLASH splash10-01x0-8960000000-bfee82eb2d81da0aeba7
Wiley ID 1456316