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(2S)-2-amino-3-(6-chloro-5-hydroxy-1H-indol-3-yl)propanoic acid
SpectraBase Compound ID 2JojG3wXqMn
InChI InChI=1S/C11H11ClN2O3/c12-7-3-9-6(2-10(7)15)5(4-14-9)1-8(13)11(16)17/h2-4,8,14-15H,1,13H2,(H,16,17)/t8-/m0/s1
InChIKey RSXMPMWHRPRWTC-QMMMGPOBSA-N
Mol Weight 254.67 g/mol
Molecular Formula C11H11ClN2O3
Exact Mass 254.04582 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tz4BTETwho
Name (2S)-2-amino-3-(6-chloro-5-hydroxy-1H-indol-3-yl)propanoic acid
Alternate Name(s) (2S)-2-amino-3-(6-chloro-5-hydroxy-1H-indol-3-yl)propionic acid (2S)-2-azanyl-3-(6-chloranyl-5-oxidanyl-1H-indol-3-yl)propanoic acid
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Formula C11H11ClN2O3
InChI InChI=1S/C11H11ClN2O3/c12-7-3-9-6(2-10(7)15)5(4-14-9)1-8(13)11(16)17/h2-4,8,14-15H,1,13H2,(H,16,17)/t8-/m0/s1
InChIKey RSXMPMWHRPRWTC-QMMMGPOBSA-N
Molecular Weight 254.673 g/mol
SMILES Oc1c(cc2c(c(C[C@@](C(=O)O)(N)[H])c[nH]2)c1)Cl
SPLASH splash10-001i-0920000000-5dec03f02e4d6dbbb57a
Source of Spectrum J-62-7455-21
Wiley ID 1257265