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(2S)-2-amino-3-(5-nitro-1H-indol-3-yl)propanoic acid
SpectraBase Compound ID CubbTIb0GJ9
InChI InChI=1S/C11H11N3O4/c12-9(11(15)16)3-6-5-13-10-2-1-7(14(17)18)4-8(6)10/h1-2,4-5,9,13H,3,12H2,(H,15,16)/t9-/m0/s1
InChIKey XKDUODGOACYEEU-VIFPVBQESA-N
Mol Weight 249.23 g/mol
Molecular Formula C11H11N3O4
Exact Mass 249.074956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6a8nDO99gXO
Name (2S)-2-amino-3-(5-nitro-1H-indol-3-yl)propanoic acid
Alternate Name(s) (2S)-2-ammonio-3-(5-nitro-1H-indol-3-yl)propanoate (2S)-2-ammonio-3-(5-nitro-1H-indol-3-yl)propionate (2S)-2-azaniumyl-3-(5-nitro-1H-indol-3-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O4
InChI InChI=1S/C11H11N3O4/c12-9(11(15)16)3-6-5-13-10-2-1-7(14(17)18)4-8(6)10/h1-2,4-5,9,13H,3,12H2,(H,15,16)/t9-/m0/s1
InChIKey XKDUODGOACYEEU-VIFPVBQESA-N
Molecular Weight 249.226 g/mol
SMILES N[C@@](Cc1c[nH]c2c1cc(cc2)N(=O)=O)(C(=O)O)[H]
SPLASH splash10-004i-0900000000-3601d3d9899e1436dda3
Source of Spectrum J-66-4538-34
Wiley ID 1535413