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(2S)-2-amino-3-(1,3-benzodioxol-5-yl)propanoic acid ethyl ester
SpectraBase Compound ID HhIw6nM4byn
InChI InChI=1S/C12H15NO4/c1-2-15-12(14)9(13)5-8-3-4-10-11(6-8)17-7-16-10/h3-4,6,9H,2,5,7,13H2,1H3/t9-/m0/s1
InChIKey SFECXIDBVMPFAI-VIFPVBQESA-N
Mol Weight 237.25 g/mol
Molecular Formula C12H15NO4
Exact Mass 237.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2KzjA67K80
Name (2S)-2-amino-3-(1,3-benzodioxol-5-yl)propanoic acid ethyl ester
Alternate Name(s) (2S)-2-amino-3-(1,3-benzodioxol-5-yl)propionic acid ethyl ester Ethyl (2S)-2-amino-3-(1,3-benzodioxol-5-yl)propanoate Ethyl (2S)-2-azanyl-3-(1,3-benzodioxol-5-yl)propanoate
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Formula C12H15NO4
InChI InChI=1S/C12H15NO4/c1-2-15-12(14)9(13)5-8-3-4-10-11(6-8)17-7-16-10/h3-4,6,9H,2,5,7,13H2,1H3/t9-/m0/s1
InChIKey SFECXIDBVMPFAI-VIFPVBQESA-N
Molecular Weight 237.255 g/mol
SMILES N[C@](C(=O)OCC)(Cc1cc2OCOc2cc1)[H]
SPLASH splash10-000i-1910000000-bb15245e3c3e32e4126f
Source of Spectrum KD-15-3113-8
Wiley ID 1637286