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(2S)-3-(4-hydroxyphenyl)-2-[(6-ketocyclohexen-1-yl)amino]propionic acid ethyl ester
SpectraBase Compound ID EGDRr3HSmoA
InChI InChI=1S/C17H21NO4/c1-2-22-17(21)15(11-12-7-9-13(19)10-8-12)18-14-5-3-4-6-16(14)20/h5,7-10,15,18-19H,2-4,6,11H2,1H3/t15-/m0/s1
InChIKey YQKBQEQORXGJOS-HNNXBMFYSA-N
Mol Weight 303.36 g/mol
Molecular Formula C17H21NO4
Exact Mass 303.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ACU7OPPdSS
Name (2S)-3-(4-hydroxyphenyl)-2-[(6-ketocyclohexen-1-yl)amino]propionic acid ethyl ester
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Formula C17H21NO4
InChI InChI=1S/C17H21NO4/c1-2-22-17(21)15(11-12-7-9-13(19)10-8-12)18-14-5-3-4-6-16(14)20/h5,7-10,15,18-19H,2-4,6,11H2,1H3/t15-/m0/s1
InChIKey YQKBQEQORXGJOS-HNNXBMFYSA-N
Molecular Weight 303.358 g/mol
SMILES N(C=1C(=O)CCCC1)[C@@](Cc1ccc(cc1)O)(C(=O)OCC)[H]
SPLASH splash10-0udi-1719000000-ce0a3fb619dba764e04e
Source of Spectrum Y-34-35-11
Synonyms (2S)-3-(4-hydroxyphenyl)-2-[(6-oxo-1-cyclohexenyl)amino]propanoic acid ethyl ester Ethyl (2S)-3-(4-hydroxyphenyl)-2-[(6-oxidanylidenecyclohexen-1-yl)amino]propanoate Ethyl (2S)-3-(4-hydroxyphenyl)-2-[(6-oxocyclohexen-1-yl)amino]propanoate
Wiley ID 1305667