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(2S)-2-[[1-oxo-2-(prop-2-enylamino)ethyl]amino]-3-phenylpropanoic acid methyl ester
SpectraBase Compound ID 8LK20cbKy2u
InChI InChI=1S/C15H20N2O3/c1-3-9-16-11-14(18)17-13(15(19)20-2)10-12-7-5-4-6-8-12/h3-8,13,16H,1,9-11H2,2H3,(H,17,18)/t13-/m0/s1
InChIKey QTGFEZVENFRXAY-ZDUSSCGKSA-N
Mol Weight 276.34 g/mol
Molecular Formula C15H20N2O3
Exact Mass 276.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1R42wgPbMHb
Name (2S)-2-[[1-oxo-2-(prop-2-enylamino)ethyl]amino]-3-phenylpropanoic acid methyl ester
Alternate Name(s) (2S)-2-[[2-(allylamino)acetyl]amino]-3-phenyl-propionic acid methyl ester methyl (2S)-2-[[2-(allylamino)acetyl]amino]-3-phenyl-propanoate methyl (2S)-3-phenyl-2-[2-(prop-2-enylamino)ethanoylamino]propanoate methyl (2S)-3-phenyl-2-[[2-(prop-2-enylamino)acetyl]amino]propanoate
Comments Less than 3 mono-isotopic peaks
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Formula C15H20N2O3
InChI InChI=1S/C15H20N2O3/c1-3-9-16-11-14(18)17-13(15(19)20-2)10-12-7-5-4-6-8-12/h3-8,13,16H,1,9-11H2,2H3,(H,17,18)/t13-/m0/s1
InChIKey QTGFEZVENFRXAY-ZDUSSCGKSA-N
Molecular Weight 276.336 g/mol
SMILES N([C@](C(=O)OC)(Cc1ccccc1)[H])C(CNCC=C)=O
SPLASH splash10-004i-0090000000-10698347359e8c0f850a
Source of Spectrum SK-29-1030-5
Wiley ID 880445