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3-[(3-keto-5-phenyl-2-propionyl-cyclohexen-1-yl)amino]propionic acid
SpectraBase Compound ID GL3zlxlDeHi
InChI InChI=1S/C18H21NO4/c1-2-15(20)18-14(19-9-8-17(22)23)10-13(11-16(18)21)12-6-4-3-5-7-12/h3-7,13,19H,2,8-11H2,1H3,(H,22,23)
InChIKey JLQXTXIQSHQMIR-UHFFFAOYSA-N
Mol Weight 315.37 g/mol
Molecular Formula C18H21NO4
Exact Mass 315.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wqzZYpqMQX
Name 3-[(3-keto-5-phenyl-2-propionyl-cyclohexen-1-yl)amino]propionic acid
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Formula C18H21NO4
InChI InChI=1S/C18H21NO4/c1-2-15(20)18-14(19-9-8-17(22)23)10-13(11-16(18)21)12-6-4-3-5-7-12/h3-7,13,19H,2,8-11H2,1H3,(H,22,23)
InChIKey JLQXTXIQSHQMIR-UHFFFAOYSA-N
Molecular Weight 315.369 g/mol
SMILES N(C1=C(C(CC(c2ccccc2)C1)=O)C(=O)CC)CCC(=O)O
SPLASH splash10-0006-2391000000-c05be67084c2cbaf51f0
Synonyms 3-[(3-keto-5-phenyl-2-propionyl-cyclohexen-1-yl)ammonio]propionate 3-[(3-oxidanylidene-5-phenyl-2-propanoyl-cyclohexen-1-yl)amino]propanoic acid 3-[(3-oxidanylidene-5-phenyl-2-propanoyl-cyclohexen-1-yl)azaniumyl]propanoate 3-[(3-oxo-5-phenyl-2-propanoyl-cyclohexen-1-yl)amino]propanoic acid 3-[(3-oxo-5-phenyl-2-propanoyl-cyclohexen-1-yl)ammonio]propanoate 3-[(3-oxo-5-phenyl-2-propanoylcyclohexen-1-yl)azaniumyl]propanoate 3-[[3-oxo-2-(1-oxopropyl)-5-phenyl-1-cyclohexenyl]amino]propanoic acid 3-[[3-oxo-2-(1-oxopropyl)-5-phenyl-1-cyclohexenyl]ammonio]propanoate Propionic acid, 3-(3-oxo-5-phenyl-2-propionylcyclohex-1-enylamino)-
Wiley ID 1440933