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(2S)-2-amino-3-(2-bromo-5-hydroxy-1H-indol-3-yl)propanoic acid ethyl ester
SpectraBase Compound ID 5fDwH9D8nqX
InChI InChI=1S/C13H15BrN2O3/c1-2-19-13(18)10(15)6-9-8-5-7(17)3-4-11(8)16-12(9)14/h3-5,10,16-17H,2,6,15H2,1H3/t10-/m0/s1
InChIKey OTXCJKIWKPNWEG-JTQLQIEISA-N
Mol Weight 327.18 g/mol
Molecular Formula C13H15BrN2O3
Exact Mass 326.026605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6IBFKCa6iCJ
Name (2S)-2-amino-3-(2-bromo-5-hydroxy-1H-indol-3-yl)propanoic acid ethyl ester
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Formula C13H15BrN2O3
InChI InChI=1S/C13H15BrN2O3/c1-2-19-13(18)10(15)6-9-8-5-7(17)3-4-11(8)16-12(9)14/h3-5,10,16-17H,2,6,15H2,1H3/t10-/m0/s1
InChIKey OTXCJKIWKPNWEG-JTQLQIEISA-N
Molecular Weight 327.178 g/mol
SMILES [nH]1c2c(c(C[C@@](C(=O)OCC)(N)[H])c1Br)cc(cc2)O
SPLASH splash10-00fs-0394000000-9fa8ba5391f66b86042f
Source of Spectrum J-62-7456-26
Synonyms (2S)-2-amino-3-(2-bromo-5-hydroxy-1H-indol-3-yl)propionic acid ethyl ester Ethyl (2S)-2-amino-3-(2-bromo-5-hydroxy-1H-indol-3-yl)propanoate Ethyl (2S)-2-azanyl-3-(2-bromanyl-5-oxidanyl-1H-indol-3-yl)propanoate
Wiley ID 1324403