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2-(Methoxycarbonyl)-.alpha.-benzoylcinnamyl-nitrile
SpectraBase Compound ID 2bGIisVxaav
InChI InChI=1S/C18H13NO3/c1-22-18(21)16-10-6-5-9-15(16)17(20)14(12-19)11-13-7-3-2-4-8-13/h2-11H,1H3/b14-11+
InChIKey BSYXXWRVQSPUSK-SDNWHVSQSA-N
Mol Weight 291.31 g/mol
Molecular Formula C18H13NO3
Exact Mass 291.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LzToZerGAF
Name 2-(Methoxycarbonyl)-.alpha.-benzoylcinnamyl-nitrile
Comments Less than 3 mono-isotopic peaks
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Formula C18H13NO3
InChI InChI=1S/C18H13NO3/c1-22-18(21)16-10-6-5-9-15(16)17(20)14(12-19)11-13-7-3-2-4-8-13/h2-11H,1H3/b14-11+
InChIKey BSYXXWRVQSPUSK-SDNWHVSQSA-N
Molecular Weight 291.306 g/mol
SMILES C(\C(=C\c1ccccc1)C#N)(c1c(C(=O)OC)cccc1)=O
SPLASH splash10-001i-0090000000-87685244caa50493fd67
Source of Spectrum D8-326-860-6
Synonyms methyl 2-[(2E)-2-cyano-3-phenyl-2-propenoyl]benzoate
Wiley ID 1514911