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5-Cyano-5-ethoxycarbonyl-3-methylbenzo[3,4]azocin-1(2H)-1,4,6-trione
SpectraBase Compound ID 7Ik1Sawpo7o
InChI InChI=1S/C16H14N2O5/c1-3-23-15(22)16(8-17)12(19)9(2)18-14(21)11-7-5-4-6-10(11)13(16)20/h4-7,9H,3H2,1-2H3,(H,18,21)
InChIKey MHWGOIIDMOYIPT-UHFFFAOYSA-N
Mol Weight 314.3 g/mol
Molecular Formula C16H14N2O5
Exact Mass 314.090272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBDbAXhDmyZ
Name 5-Cyano-5-ethoxycarbonyl-3-methylbenzo[3,4]azocin-1(2H)-1,4,6-trione
Comments Less than 3 mono-isotopic peaks
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Formula C16H14N2O5
InChI InChI=1S/C16H14N2O5/c1-3-23-15(22)16(8-17)12(19)9(2)18-14(21)11-7-5-4-6-10(11)13(16)20/h4-7,9H,3H2,1-2H3,(H,18,21)
InChIKey MHWGOIIDMOYIPT-UHFFFAOYSA-N
Molecular Weight 314.297 g/mol
SMILES N1C(C(C(C(c2c(C1=O)cccc2)=O)(C(=O)OCC)C#N)=O)C
SPLASH splash10-04i0-0099000000-56b8986a63055cab1487
Source of Spectrum H1-38-758-17
Synonyms ethyl 5-cyano-3-methyl-1,4,6-trioxo-1,2,3,4,5,6-hexahydro-2-benzazocine-5-carboxylate
Wiley ID 756302