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2-[[3-keto-5,5-dimethyl-2-[(E)-3-phenylacryloyl]cyclohexen-1-yl]amino]propionic acid
SpectraBase Compound ID CTqCZVyII88
InChI InChI=1S/C20H23NO4/c1-13(19(24)25)21-15-11-20(2,3)12-17(23)18(15)16(22)10-9-14-7-5-4-6-8-14/h4-10,13,21H,11-12H2,1-3H3,(H,24,25)/b10-9+
InChIKey DYNXQISBAOMRCL-MDZDMXLPSA-N
Mol Weight 341.41 g/mol
Molecular Formula C20H23NO4
Exact Mass 341.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IX66WkB5Agk
Name 2-[[3-keto-5,5-dimethyl-2-[(E)-3-phenylacryloyl]cyclohexen-1-yl]amino]propionic acid
Alternate Name(s) 2-[[5,5-dimethyl-3-oxidanylidene-2-[(E)-3-phenylprop-2-enoyl]cyclohexen-1-yl]amino]propanoic acid 2-[[5,5-dimethyl-3-oxo-2-[(E)-1-oxo-3-phenylprop-2-enyl]-1-cyclohexenyl]amino]propanoic acid 2-[[5,5-dimethyl-3-oxo-2-[(E)-3-phenylprop-2-enoyl]cyclohexen-1-yl]amino]propanoic acid
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Formula C20H23NO4
InChI InChI=1S/C20H23NO4/c1-13(19(24)25)21-15-11-20(2,3)12-17(23)18(15)16(22)10-9-14-7-5-4-6-8-14/h4-10,13,21H,11-12H2,1-3H3,(H,24,25)/b10-9+
InChIKey DYNXQISBAOMRCL-MDZDMXLPSA-N
Molecular Weight 341.407 g/mol
SMILES N(C1=C(C(CC(C)(C)C1)=O)C(\C=C\c1ccccc1)=O)C(C(=O)O)C
SPLASH splash10-01ox-7592000000-806881fa6f39f7fc90d8
Wiley ID 1442223