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.beta.-alanine, N-[(2-amino-5-nitrophenyl)sulfonyl]-
SpectraBase Compound ID APJI3b9FUdB
InChI InChI=1S/C9H11N3O6S/c10-7-2-1-6(12(15)16)5-8(7)19(17,18)11-4-3-9(13)14/h1-2,5,11H,3-4,10H2,(H,13,14)
InChIKey KYHFWFKGRGVRHC-UHFFFAOYSA-N
Mol Weight 289.26 g/mol
Molecular Formula C9H11N3O6S
Exact Mass 289.036856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Br8PQ0miakR
Name .beta.-alanine, N-[(2-amino-5-nitrophenyl)sulfonyl]-
Alternate Name(s) 3-(2-amino-5-nitrophenylsulfonamido)propanoic acid N-[(2-amino-5-nitrophenyl)sulfonyl]-.beta.-alanine 3-[(2-amino-5-nitrophenyl)sulfonylamino]propanoic acid 3-[(2-amino-5-nitro-phenyl)sulfonylamino]propanoic acid 3-[(2-azanyl-5-nitro-phenyl)sulfonylamino]propanoic acid
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Formula C9H11N3O6S
InChI InChI=1S/C9H11N3O6S/c10-7-2-1-6(12(15)16)5-8(7)19(17,18)11-4-3-9(13)14/h1-2,5,11H,3-4,10H2,(H,13,14)
InChIKey KYHFWFKGRGVRHC-UHFFFAOYSA-N
Molecular Weight 289.262 g/mol
SMILES Nc1c(S(=O)(=O)NCCC(O)=O)cc(cc1)[N+]([O-])=O
SPLASH splash10-000i-9550000000-7bd07ee487ef3546c069
Source of Spectrum JX-2015-2-1230
Wiley ID 1722889