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Methyl (2S)-2-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanoate
SpectraBase Compound ID DwwXPraJEjS
InChI InChI=1S/C12H16BrNO4/c1-16-10-5-7(4-9(14)12(15)18-3)8(13)6-11(10)17-2/h5-6,9H,4,14H2,1-3H3/t9-/m0/s1
InChIKey GQKKIXDQDXWACU-VIFPVBQESA-N
Mol Weight 318.17 g/mol
Molecular Formula C12H16BrNO4
Exact Mass 317.026271 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QTpCurRKa
Name Methyl (2S)-2-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanoate
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Formula C12H16BrNO4
InChI InChI=1S/C12H16BrNO4/c1-16-10-5-7(4-9(14)12(15)18-3)8(13)6-11(10)17-2/h5-6,9H,4,14H2,1-3H3/t9-/m0/s1
InChIKey GQKKIXDQDXWACU-VIFPVBQESA-N
Molecular Weight 318.167 g/mol
SMILES N[C@](C(=O)OC)(Cc1c(cc(c(c1)OC)OC)Br)[H]
SPLASH splash10-001r-0090000000-863eeced8f3179592af1
Source of Spectrum J-63-4943-6
Synonyms (2S)-2-amino-3-(2-bromo-4,5-dimethoxyphenyl)propanoic acid methyl ester Methyl (2S)-2-amino-3-(2-bromo-4,5-dimethoxy-phenyl)propanoate Methyl (2S)-2-azanyl-3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoate
Wiley ID 1317497