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2-(Methoxycarbonyl)-.alpha.-cyanocinnamyl-amide
SpectraBase Compound ID 1nYIlaWXcX4
InChI InChI=1S/C12H10N2O3/c1-17-12(16)10-5-3-2-4-8(10)6-9(7-13)11(14)15/h2-6H,1H3,(H2,14,15)/b9-6+
InChIKey SSKHQHDPSPSHPH-RMKNXTFCSA-N
Mol Weight 230.22 g/mol
Molecular Formula C12H10N2O3
Exact Mass 230.069142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9IS9nvvnzmV
Name 2-(Methoxycarbonyl)-.alpha.-cyanocinnamyl-amide
Alternate Name(s) methyl 2-[(1E)-3-amino-2-cyano-3-oxo-1-propenyl]benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C12H10N2O3
InChI InChI=1S/C12H10N2O3/c1-17-12(16)10-5-3-2-4-8(10)6-9(7-13)11(14)15/h2-6H,1H3,(H2,14,15)/b9-6+
InChIKey SSKHQHDPSPSHPH-RMKNXTFCSA-N
Molecular Weight 230.223 g/mol
SMILES NC(\C(=C\c1c(C(=O)OC)cccc1)C#N)=O
SPLASH splash10-00di-0900000000-2b329174cc9715104879
Source of Spectrum D8-326-860-6
Wiley ID 1514913